USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 884 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ -156:sc= 0.88 (180deg=0.526) USER MOD Set 1.2: A 33 ASN : amide:sc= -5.05 K(o=-4.2,f=-12!) USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.24 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.951 USER MOD Single : A 19 ASN : amide:sc= -0.973 K(o=-0.97,f=-0.25) USER MOD Single : A 21 SER OG : rot -32:sc= -1.41 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.264 USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 0.228 (180deg=0.215) USER MOD Single : A 38 ASN : amide:sc= -2 K(o=-2,f=-8.7!) USER MOD Single : A 39 HIS : no HE2:sc= -0.825 K(o=-0.82,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.28) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.747 K(o=-0.75,f=-0.0054) USER MOD Single : A 56 SER OG : rot -120:sc= -0.716 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.94 X(o=-1.9,f=-1.8) USER MOD Single : A 66 GLN : amide:sc= -7.65! C(o=-7.6!,f=-5.4!) USER MOD Single : A 71 ASN : amide:sc= -7.52! C(o=-7.5!,f=-5.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.109 USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -0.0682 (180deg=-0.311) USER MOD Single : A 80 ASN : amide:sc= -7.56! C(o=-7.6!,f=-13!) USER MOD Single : A 81 GLN : amide:sc= -2.74 K(o=-2.7,f=-0.58) USER MOD Single : A 84 MET CE :methyl -158:sc= -3.22! (180deg=-4.87!) USER MOD Single : A 86 THR OG1 : rot 86:sc= 0 USER MOD Single : A 90 SER OG : rot 85:sc= 0.847 USER MOD Single : A 91 MET CE :methyl 175:sc= -7.7! (180deg=-8.06!) USER MOD Single : A 92 SER OG : rot -54:sc= 0.0609 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.82) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -156:sc= -4.62! (180deg=-6.07!) USER MOD Single : A 102 GLN : amide:sc= -5.84! C(o=-5.8!,f=-10!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : B 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 8 SER OG : rot -140:sc= -0.566 USER MOD Single : B 9 GLN : amide:sc= -2.87! K(o=-2.9!,f=-1.1) USER MOD Single : B 11 THR OG1 : rot 19:sc= 1.14 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -8.886 -8.145 -9.887 1.00 0.00 N ATOM 2 CA GLY A 7 -10.100 -7.801 -9.172 1.00 0.00 C ATOM 3 C GLY A 7 -9.985 -6.479 -8.436 1.00 0.00 C ATOM 4 O GLY A 7 -10.538 -5.469 -8.872 1.00 0.00 O ATOM 0 HA2 GLY A 7 -10.931 -7.750 -9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.334 -8.591 -8.459 1.00 0.00 H new ATOM 8 N THR A 8 -9.268 -6.488 -7.318 1.00 0.00 N ATOM 9 CA THR A 8 -9.084 -5.280 -6.520 1.00 0.00 C ATOM 10 C THR A 8 -7.614 -4.865 -6.470 1.00 0.00 C ATOM 11 O THR A 8 -7.299 -3.712 -6.179 1.00 0.00 O ATOM 12 CB THR A 8 -9.615 -5.495 -5.102 1.00 0.00 C ATOM 13 OG1 THR A 8 -8.846 -6.471 -4.421 1.00 0.00 O ATOM 14 CG2 THR A 8 -11.060 -5.942 -5.066 1.00 0.00 C ATOM 0 H THR A 8 -8.805 -7.316 -6.944 1.00 0.00 H new ATOM 0 HA THR A 8 -9.647 -4.477 -6.996 1.00 0.00 H new ATOM 0 HB THR A 8 -9.540 -4.523 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.411 -6.938 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.374 -6.076 -4.031 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.687 -5.186 -5.540 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.162 -6.886 -5.601 1.00 0.00 H new ATOM 22 N ARG A 9 -6.717 -5.807 -6.753 1.00 0.00 N ATOM 23 CA ARG A 9 -5.287 -5.526 -6.737 1.00 0.00 C ATOM 24 C ARG A 9 -4.877 -4.751 -7.986 1.00 0.00 C ATOM 25 O ARG A 9 -5.262 -5.105 -9.100 1.00 0.00 O ATOM 26 CB ARG A 9 -4.490 -6.829 -6.642 1.00 0.00 C ATOM 27 CG ARG A 9 -3.961 -7.117 -5.246 1.00 0.00 C ATOM 28 CD ARG A 9 -2.673 -7.923 -5.295 1.00 0.00 C ATOM 29 NE ARG A 9 -2.273 -8.399 -3.972 1.00 0.00 N ATOM 30 CZ ARG A 9 -2.825 -9.445 -3.363 1.00 0.00 C ATOM 31 NH1 ARG A 9 -3.798 -10.128 -3.952 1.00 0.00 N ATOM 32 NH2 ARG A 9 -2.401 -9.810 -2.160 1.00 0.00 N ATOM 0 H ARG A 9 -6.956 -6.769 -6.995 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.068 -4.914 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.124 -7.657 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.652 -6.784 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.784 -6.178 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.712 -7.664 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.804 -8.775 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.877 -7.308 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.527 -7.900 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.127 -9.852 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.217 -10.929 -3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.653 -9.289 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.823 -10.612 -1.692 1.00 0.00 H new ATOM 46 N GLU A 10 -4.099 -3.690 -7.793 1.00 0.00 N ATOM 47 CA GLU A 10 -3.647 -2.867 -8.909 1.00 0.00 C ATOM 48 C GLU A 10 -2.454 -2.002 -8.514 1.00 0.00 C ATOM 49 O GLU A 10 -2.200 -1.773 -7.331 1.00 0.00 O ATOM 50 CB GLU A 10 -4.789 -1.976 -9.400 1.00 0.00 C ATOM 51 CG GLU A 10 -5.360 -1.074 -8.315 1.00 0.00 C ATOM 52 CD GLU A 10 -5.932 0.216 -8.868 1.00 0.00 C ATOM 53 OE1 GLU A 10 -6.128 0.301 -10.100 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.185 1.143 -8.069 1.00 0.00 O ATOM 0 H GLU A 10 -3.770 -3.381 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.334 -3.535 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.430 -1.359 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.586 -2.605 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.140 -1.611 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.577 -0.840 -7.594 1.00 0.00 H new ATOM 61 N PHE A 11 -1.732 -1.518 -9.521 1.00 0.00 N ATOM 62 CA PHE A 11 -0.568 -0.667 -9.297 1.00 0.00 C ATOM 63 C PHE A 11 -0.921 0.794 -9.551 1.00 0.00 C ATOM 64 O PHE A 11 -1.729 1.101 -10.429 1.00 0.00 O ATOM 65 CB PHE A 11 0.584 -1.091 -10.211 1.00 0.00 C ATOM 66 CG PHE A 11 1.070 -2.491 -9.957 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.232 -3.578 -10.154 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.365 -2.720 -9.521 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.676 -4.864 -9.922 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.816 -4.004 -9.287 1.00 0.00 C ATOM 71 CZ PHE A 11 1.970 -5.079 -9.488 1.00 0.00 C ATOM 0 H PHE A 11 -1.934 -1.702 -10.504 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.255 -0.778 -8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.262 -1.010 -11.249 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.415 -0.398 -10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.781 -3.416 -10.493 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.030 -1.884 -9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.013 -5.702 -10.080 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.828 -4.168 -8.948 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.320 -6.084 -9.306 1.00 0.00 H new ATOM 81 N LEU A 12 -0.324 1.694 -8.777 1.00 0.00 N ATOM 82 CA LEU A 12 -0.594 3.122 -8.928 1.00 0.00 C ATOM 83 C LEU A 12 0.635 3.959 -8.596 1.00 0.00 C ATOM 84 O LEU A 12 1.335 3.701 -7.617 1.00 0.00 O ATOM 85 CB LEU A 12 -1.774 3.554 -8.042 1.00 0.00 C ATOM 86 CG LEU A 12 -2.323 2.483 -7.093 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.743 2.655 -5.698 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.843 2.533 -7.047 1.00 0.00 C ATOM 0 H LEU A 12 0.346 1.464 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.855 3.293 -9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.462 4.413 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.585 3.890 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.023 1.506 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.145 1.885 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.658 2.565 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.010 3.639 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.212 1.765 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.164 3.513 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.243 2.357 -8.045 1.00 0.00 H new ATOM 100 N THR A 13 0.882 4.972 -9.417 1.00 0.00 N ATOM 101 CA THR A 13 2.015 5.870 -9.221 1.00 0.00 C ATOM 102 C THR A 13 1.617 7.032 -8.318 1.00 0.00 C ATOM 103 O THR A 13 0.473 7.486 -8.353 1.00 0.00 O ATOM 104 CB THR A 13 2.512 6.397 -10.566 1.00 0.00 C ATOM 105 OG1 THR A 13 2.888 5.326 -11.417 1.00 0.00 O ATOM 106 CG2 THR A 13 3.700 7.323 -10.445 1.00 0.00 C ATOM 0 H THR A 13 0.309 5.194 -10.231 1.00 0.00 H new ATOM 0 HA THR A 13 2.821 5.314 -8.743 1.00 0.00 H new ATOM 0 HB THR A 13 1.675 6.958 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.202 5.684 -12.274 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.001 7.660 -11.437 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.429 8.185 -9.836 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.528 6.793 -9.975 1.00 0.00 H new ATOM 114 N PHE A 14 2.556 7.507 -7.502 1.00 0.00 N ATOM 115 CA PHE A 14 2.268 8.607 -6.588 1.00 0.00 C ATOM 116 C PHE A 14 3.431 9.591 -6.494 1.00 0.00 C ATOM 117 O PHE A 14 4.513 9.250 -6.020 1.00 0.00 O ATOM 118 CB PHE A 14 1.937 8.067 -5.197 1.00 0.00 C ATOM 119 CG PHE A 14 0.659 7.276 -5.145 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.471 7.715 -5.817 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.590 6.097 -4.422 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.647 6.989 -5.769 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.584 5.367 -4.370 1.00 0.00 C ATOM 124 CZ PHE A 14 -1.703 5.815 -5.045 1.00 0.00 C ATOM 0 H PHE A 14 3.511 7.152 -7.456 1.00 0.00 H new ATOM 0 HA PHE A 14 1.407 9.143 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.758 7.437 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.866 8.902 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.433 8.633 -6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.463 5.743 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.521 7.340 -6.298 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.626 4.449 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.621 5.247 -5.006 1.00 0.00 H new ATOM 134 N GLU A 15 3.181 10.824 -6.921 1.00 0.00 N ATOM 135 CA GLU A 15 4.186 11.880 -6.864 1.00 0.00 C ATOM 136 C GLU A 15 4.124 12.556 -5.500 1.00 0.00 C ATOM 137 O GLU A 15 3.157 13.248 -5.185 1.00 0.00 O ATOM 138 CB GLU A 15 3.955 12.906 -7.977 1.00 0.00 C ATOM 139 CG GLU A 15 3.303 12.329 -9.225 1.00 0.00 C ATOM 140 CD GLU A 15 1.826 12.653 -9.314 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.010 11.859 -8.800 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.482 13.702 -9.901 1.00 0.00 O ATOM 0 H GLU A 15 2.286 11.118 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 15 5.174 11.443 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.329 13.710 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.912 13.350 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.810 12.718 -10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.435 11.247 -9.232 1.00 0.00 H new ATOM 149 N VAL A 16 5.141 12.320 -4.680 1.00 0.00 N ATOM 150 CA VAL A 16 5.177 12.871 -3.329 1.00 0.00 C ATOM 151 C VAL A 16 6.176 14.018 -3.181 1.00 0.00 C ATOM 152 O VAL A 16 7.381 13.787 -3.070 1.00 0.00 O ATOM 153 CB VAL A 16 5.536 11.771 -2.312 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.457 12.296 -0.889 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.631 10.565 -2.492 1.00 0.00 C ATOM 0 H VAL A 16 5.951 11.751 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 16 4.180 13.266 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 16 6.565 11.461 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.715 11.499 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.155 13.124 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.444 12.642 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.899 9.798 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.594 10.863 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.750 10.168 -3.500 1.00 0.00 H new ATOM 165 N PRO A 17 5.689 15.273 -3.142 1.00 0.00 N ATOM 166 CA PRO A 17 6.545 16.445 -2.968 1.00 0.00 C ATOM 167 C PRO A 17 7.005 16.565 -1.519 1.00 0.00 C ATOM 168 O PRO A 17 6.187 16.520 -0.602 1.00 0.00 O ATOM 169 CB PRO A 17 5.638 17.630 -3.346 1.00 0.00 C ATOM 170 CG PRO A 17 4.351 17.031 -3.825 1.00 0.00 C ATOM 171 CD PRO A 17 4.277 15.653 -3.236 1.00 0.00 C ATOM 0 HA PRO A 17 7.449 16.397 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.470 18.281 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.097 18.240 -4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.501 17.635 -3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.324 16.989 -4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.791 15.654 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.714 14.969 -3.872 1.00 0.00 H new ATOM 179 N LEU A 18 8.313 16.697 -1.309 1.00 0.00 N ATOM 180 CA LEU A 18 8.853 16.791 0.044 1.00 0.00 C ATOM 181 C LEU A 18 9.682 18.050 0.244 1.00 0.00 C ATOM 182 O LEU A 18 10.594 18.074 1.070 1.00 0.00 O ATOM 183 CB LEU A 18 9.709 15.571 0.341 1.00 0.00 C ATOM 184 CG LEU A 18 10.786 15.315 -0.702 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.108 14.974 -0.038 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.356 14.209 -1.652 1.00 0.00 C ATOM 0 H LEU A 18 9.012 16.741 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 18 8.008 16.836 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.181 15.697 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.066 14.694 0.410 1.00 0.00 H new ATOM 0 HG LEU A 18 10.926 16.227 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.864 14.795 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.422 15.804 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.989 14.078 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.139 14.040 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.184 13.292 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.436 14.501 -2.158 1.00 0.00 H new ATOM 198 N ASN A 19 9.355 19.092 -0.502 1.00 0.00 N ATOM 199 CA ASN A 19 10.060 20.374 -0.399 1.00 0.00 C ATOM 200 C ASN A 19 10.385 20.708 1.058 1.00 0.00 C ATOM 201 O ASN A 19 11.393 21.351 1.353 1.00 0.00 O ATOM 202 CB ASN A 19 9.223 21.503 -1.007 1.00 0.00 C ATOM 203 CG ASN A 19 7.732 21.205 -1.007 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.117 21.061 -2.063 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.143 21.109 0.182 1.00 0.00 N ATOM 0 H ASN A 19 8.603 19.082 -1.191 1.00 0.00 H new ATOM 0 HA ASN A 19 10.993 20.281 -0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.404 22.422 -0.450 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.552 21.681 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.145 20.909 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.690 21.235 1.034 1.00 0.00 H new ATOM 212 N ASP A 20 9.522 20.256 1.961 1.00 0.00 N ATOM 213 CA ASP A 20 9.704 20.488 3.388 1.00 0.00 C ATOM 214 C ASP A 20 9.966 19.172 4.106 1.00 0.00 C ATOM 215 O ASP A 20 10.699 19.122 5.091 1.00 0.00 O ATOM 216 CB ASP A 20 8.468 21.158 3.987 1.00 0.00 C ATOM 217 CG ASP A 20 8.138 22.476 3.313 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.082 23.215 2.962 1.00 0.00 O ATOM 219 OD2 ASP A 20 6.938 22.769 3.136 1.00 0.00 O ATOM 0 H ASP A 20 8.684 19.723 1.727 1.00 0.00 H new ATOM 0 HA ASP A 20 10.562 21.148 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.615 20.485 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.631 21.329 5.051 1.00 0.00 H new ATOM 224 N SER A 21 9.359 18.105 3.594 1.00 0.00 N ATOM 225 CA SER A 21 9.520 16.782 4.174 1.00 0.00 C ATOM 226 C SER A 21 10.927 16.241 3.926 1.00 0.00 C ATOM 227 O SER A 21 11.305 15.209 4.478 1.00 0.00 O ATOM 228 CB SER A 21 8.480 15.825 3.591 1.00 0.00 C ATOM 229 OG SER A 21 8.633 14.520 4.122 1.00 0.00 O ATOM 0 H SER A 21 8.750 18.135 2.776 1.00 0.00 H new ATOM 0 HA SER A 21 9.372 16.862 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.478 16.195 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.578 15.793 2.506 1.00 0.00 H new ATOM 0 HG SER A 21 9.580 14.354 4.314 1.00 0.00 H new ATOM 235 N GLY A 22 11.703 16.944 3.098 1.00 0.00 N ATOM 236 CA GLY A 22 13.060 16.510 2.804 1.00 0.00 C ATOM 237 C GLY A 22 13.830 16.116 4.052 1.00 0.00 C ATOM 238 O GLY A 22 14.738 15.285 3.992 1.00 0.00 O ATOM 0 H GLY A 22 11.416 17.803 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.026 15.662 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.591 17.312 2.292 1.00 0.00 H new ATOM 242 N SER A 23 13.464 16.710 5.183 1.00 0.00 N ATOM 243 CA SER A 23 14.121 16.411 6.450 1.00 0.00 C ATOM 244 C SER A 23 13.501 15.179 7.101 1.00 0.00 C ATOM 245 O SER A 23 14.186 14.407 7.773 1.00 0.00 O ATOM 246 CB SER A 23 14.021 17.608 7.396 1.00 0.00 C ATOM 247 OG SER A 23 14.831 18.682 6.949 1.00 0.00 O ATOM 0 H SER A 23 12.716 17.401 5.248 1.00 0.00 H new ATOM 0 HA SER A 23 15.172 16.206 6.249 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.984 17.935 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.328 17.310 8.398 1.00 0.00 H new ATOM 0 HG SER A 23 14.748 19.435 7.570 1.00 0.00 H new ATOM 253 N ALA A 24 12.198 15.001 6.896 1.00 0.00 N ATOM 254 CA ALA A 24 11.482 13.863 7.459 1.00 0.00 C ATOM 255 C ALA A 24 11.499 12.666 6.510 1.00 0.00 C ATOM 256 O ALA A 24 10.773 11.693 6.717 1.00 0.00 O ATOM 257 CB ALA A 24 10.046 14.257 7.780 1.00 0.00 C ATOM 0 H ALA A 24 11.618 15.632 6.343 1.00 0.00 H new ATOM 0 HA ALA A 24 11.990 13.568 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.519 13.400 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.045 15.073 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.545 14.580 6.868 1.00 0.00 H new ATOM 263 N GLY A 25 12.321 12.741 5.465 1.00 0.00 N ATOM 264 CA GLY A 25 12.397 11.655 4.504 1.00 0.00 C ATOM 265 C GLY A 25 11.299 11.743 3.464 1.00 0.00 C ATOM 266 O GLY A 25 11.569 11.777 2.262 1.00 0.00 O ATOM 0 H GLY A 25 12.934 13.532 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.368 11.675 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.326 10.702 5.027 1.00 0.00 H new ATOM 270 N LEU A 26 10.058 11.788 3.932 1.00 0.00 N ATOM 271 CA LEU A 26 8.904 11.883 3.047 1.00 0.00 C ATOM 272 C LEU A 26 7.609 11.955 3.846 1.00 0.00 C ATOM 273 O LEU A 26 6.645 12.587 3.421 1.00 0.00 O ATOM 274 CB LEU A 26 8.861 10.697 2.083 1.00 0.00 C ATOM 275 CG LEU A 26 8.196 10.986 0.735 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.767 12.252 0.112 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.364 9.804 -0.205 1.00 0.00 C ATOM 0 H LEU A 26 9.824 11.760 4.924 1.00 0.00 H new ATOM 0 HA LEU A 26 9.004 12.801 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.881 10.357 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.331 9.875 2.564 1.00 0.00 H new ATOM 0 HG LEU A 26 7.131 11.142 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.280 12.438 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.592 13.096 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.839 12.129 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.885 10.027 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.425 9.616 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.902 8.920 0.235 1.00 0.00 H new ATOM 289 N GLY A 27 7.593 11.312 5.011 1.00 0.00 N ATOM 290 CA GLY A 27 6.408 11.335 5.846 1.00 0.00 C ATOM 291 C GLY A 27 5.734 9.983 5.967 1.00 0.00 C ATOM 292 O GLY A 27 4.513 9.907 6.092 1.00 0.00 O ATOM 0 H GLY A 27 8.376 10.779 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.680 11.688 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.697 12.052 5.436 1.00 0.00 H new ATOM 296 N VAL A 28 6.521 8.911 5.933 1.00 0.00 N ATOM 297 CA VAL A 28 5.965 7.567 6.043 1.00 0.00 C ATOM 298 C VAL A 28 6.995 6.565 6.553 1.00 0.00 C ATOM 299 O VAL A 28 8.191 6.699 6.300 1.00 0.00 O ATOM 300 CB VAL A 28 5.430 7.057 4.690 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.302 7.938 4.187 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.552 6.977 3.663 1.00 0.00 C ATOM 0 H VAL A 28 7.535 8.946 5.831 1.00 0.00 H new ATOM 0 HA VAL A 28 5.145 7.644 6.757 1.00 0.00 H new ATOM 0 HB VAL A 28 5.033 6.053 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.942 7.558 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.486 7.933 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.666 8.957 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.153 6.615 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.985 7.967 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.322 6.292 4.018 1.00 0.00 H new ATOM 312 N SER A 29 6.506 5.542 7.243 1.00 0.00 N ATOM 313 CA SER A 29 7.362 4.485 7.763 1.00 0.00 C ATOM 314 C SER A 29 7.143 3.221 6.944 1.00 0.00 C ATOM 315 O SER A 29 6.013 2.753 6.816 1.00 0.00 O ATOM 316 CB SER A 29 7.058 4.221 9.239 1.00 0.00 C ATOM 317 OG SER A 29 7.408 5.336 10.040 1.00 0.00 O ATOM 0 H SER A 29 5.516 5.423 7.456 1.00 0.00 H new ATOM 0 HA SER A 29 8.404 4.795 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.998 4.000 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.607 3.341 9.575 1.00 0.00 H new ATOM 0 HG SER A 29 7.202 5.142 10.978 1.00 0.00 H new ATOM 323 N VAL A 30 8.212 2.689 6.364 1.00 0.00 N ATOM 324 CA VAL A 30 8.105 1.497 5.528 1.00 0.00 C ATOM 325 C VAL A 30 8.680 0.257 6.206 1.00 0.00 C ATOM 326 O VAL A 30 9.569 0.348 7.052 1.00 0.00 O ATOM 327 CB VAL A 30 8.814 1.693 4.173 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.915 2.441 3.203 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.137 2.425 4.356 1.00 0.00 C ATOM 0 H VAL A 30 9.158 3.060 6.455 1.00 0.00 H new ATOM 0 HA VAL A 30 7.038 1.344 5.366 1.00 0.00 H new ATOM 0 HB VAL A 30 9.027 0.710 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.433 2.570 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.999 1.872 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.667 3.419 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.620 2.552 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.953 3.403 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.786 1.845 5.011 1.00 0.00 H new ATOM 339 N LYS A 31 8.164 -0.902 5.806 1.00 0.00 N ATOM 340 CA LYS A 31 8.612 -2.182 6.342 1.00 0.00 C ATOM 341 C LYS A 31 8.330 -3.300 5.342 1.00 0.00 C ATOM 342 O LYS A 31 7.221 -3.413 4.826 1.00 0.00 O ATOM 343 CB LYS A 31 7.922 -2.480 7.680 1.00 0.00 C ATOM 344 CG LYS A 31 6.427 -2.751 7.564 1.00 0.00 C ATOM 345 CD LYS A 31 5.934 -3.649 8.686 1.00 0.00 C ATOM 346 CE LYS A 31 5.616 -5.050 8.183 1.00 0.00 C ATOM 347 NZ LYS A 31 4.209 -5.163 7.709 1.00 0.00 N ATOM 0 H LYS A 31 7.427 -0.980 5.105 1.00 0.00 H new ATOM 0 HA LYS A 31 9.687 -2.126 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.402 -3.344 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.076 -1.635 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.882 -1.807 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.215 -3.219 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.692 -3.706 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.043 -3.213 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.295 -5.307 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.789 -5.771 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.904 -6.156 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.592 -4.579 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.147 -4.833 6.725 1.00 0.00 H new ATOM 361 N GLY A 32 9.339 -4.114 5.058 1.00 0.00 N ATOM 362 CA GLY A 32 9.158 -5.197 4.108 1.00 0.00 C ATOM 363 C GLY A 32 9.026 -6.554 4.771 1.00 0.00 C ATOM 364 O GLY A 32 9.416 -6.731 5.924 1.00 0.00 O ATOM 0 H GLY A 32 10.272 -4.046 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.267 -5.003 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.005 -5.215 3.422 1.00 0.00 H new ATOM 368 N ASN A 33 8.468 -7.513 4.036 1.00 0.00 N ATOM 369 CA ASN A 33 8.280 -8.865 4.557 1.00 0.00 C ATOM 370 C ASN A 33 9.103 -9.876 3.770 1.00 0.00 C ATOM 371 O ASN A 33 9.741 -9.536 2.773 1.00 0.00 O ATOM 372 CB ASN A 33 6.802 -9.255 4.507 1.00 0.00 C ATOM 373 CG ASN A 33 6.018 -8.715 5.689 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.360 -9.468 6.407 1.00 0.00 O ATOM 375 ND2 ASN A 33 6.081 -7.405 5.898 1.00 0.00 N ATOM 0 H ASN A 33 8.139 -7.380 3.080 1.00 0.00 H new ATOM 0 HA ASN A 33 8.620 -8.872 5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.362 -8.882 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.717 -10.341 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.572 -6.988 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.638 -6.816 5.279 1.00 0.00 H new ATOM 382 N ARG A 34 9.079 -11.125 4.224 1.00 0.00 N ATOM 383 CA ARG A 34 9.817 -12.195 3.567 1.00 0.00 C ATOM 384 C ARG A 34 8.875 -13.311 3.129 1.00 0.00 C ATOM 385 O ARG A 34 7.813 -13.507 3.721 1.00 0.00 O ATOM 386 CB ARG A 34 10.892 -12.755 4.500 1.00 0.00 C ATOM 387 CG ARG A 34 11.705 -11.682 5.205 1.00 0.00 C ATOM 388 CD ARG A 34 13.060 -12.211 5.645 1.00 0.00 C ATOM 389 NE ARG A 34 13.825 -11.209 6.385 1.00 0.00 N ATOM 390 CZ ARG A 34 13.522 -10.808 7.618 1.00 0.00 C ATOM 391 NH1 ARG A 34 12.475 -11.320 8.251 1.00 0.00 N ATOM 392 NH2 ARG A 34 14.269 -9.892 8.219 1.00 0.00 N ATOM 0 H ARG A 34 8.554 -11.420 5.047 1.00 0.00 H new ATOM 0 HA ARG A 34 10.299 -11.779 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.417 -13.390 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.566 -13.390 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.844 -10.832 4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.155 -11.319 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.919 -13.093 6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.628 -12.527 4.770 1.00 0.00 H new ATOM 0 HE ARG A 34 14.638 -10.793 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.897 -12.025 7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.248 -11.009 9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.075 -9.495 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.037 -9.584 9.164 1.00 0.00 H new ATOM 406 N SER A 35 9.269 -14.034 2.088 1.00 0.00 N ATOM 407 CA SER A 35 8.462 -15.133 1.561 1.00 0.00 C ATOM 408 C SER A 35 7.977 -16.056 2.677 1.00 0.00 C ATOM 409 O SER A 35 8.569 -16.111 3.755 1.00 0.00 O ATOM 410 CB SER A 35 9.265 -15.935 0.534 1.00 0.00 C ATOM 411 OG SER A 35 8.963 -15.520 -0.786 1.00 0.00 O ATOM 0 H SER A 35 10.145 -13.880 1.589 1.00 0.00 H new ATOM 0 HA SER A 35 7.587 -14.699 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.331 -15.810 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.045 -16.997 0.644 1.00 0.00 H new ATOM 0 HG SER A 35 9.490 -16.046 -1.423 1.00 0.00 H new ATOM 417 N LYS A 36 6.891 -16.773 2.409 1.00 0.00 N ATOM 418 CA LYS A 36 6.319 -17.693 3.386 1.00 0.00 C ATOM 419 C LYS A 36 7.241 -18.882 3.637 1.00 0.00 C ATOM 420 O LYS A 36 7.558 -19.206 4.781 1.00 0.00 O ATOM 421 CB LYS A 36 4.950 -18.187 2.913 1.00 0.00 C ATOM 422 CG LYS A 36 4.019 -17.068 2.480 1.00 0.00 C ATOM 423 CD LYS A 36 3.902 -16.992 0.967 1.00 0.00 C ATOM 424 CE LYS A 36 3.465 -15.611 0.511 1.00 0.00 C ATOM 425 NZ LYS A 36 4.622 -14.688 0.343 1.00 0.00 N ATOM 0 H LYS A 36 6.388 -16.735 1.522 1.00 0.00 H new ATOM 0 HA LYS A 36 6.202 -17.150 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.089 -18.876 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.478 -18.751 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.032 -17.227 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.388 -16.117 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.862 -17.239 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.185 -17.735 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.927 -15.694 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.769 -15.192 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.284 -13.767 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.101 -14.561 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.290 -15.091 -0.345 1.00 0.00 H new ATOM 439 N GLU A 37 7.653 -19.535 2.557 1.00 0.00 N ATOM 440 CA GLU A 37 8.529 -20.703 2.653 1.00 0.00 C ATOM 441 C GLU A 37 9.938 -20.317 3.095 1.00 0.00 C ATOM 442 O GLU A 37 10.477 -20.893 4.040 1.00 0.00 O ATOM 443 CB GLU A 37 8.586 -21.449 1.314 1.00 0.00 C ATOM 444 CG GLU A 37 8.629 -20.541 0.094 1.00 0.00 C ATOM 445 CD GLU A 37 9.731 -20.919 -0.878 1.00 0.00 C ATOM 446 OE1 GLU A 37 10.767 -21.449 -0.422 1.00 0.00 O ATOM 447 OE2 GLU A 37 9.560 -20.684 -2.093 1.00 0.00 O ATOM 0 H GLU A 37 7.396 -19.278 1.604 1.00 0.00 H new ATOM 0 HA GLU A 37 8.107 -21.363 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.467 -22.091 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.716 -22.101 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.668 -20.582 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.774 -19.510 0.418 1.00 0.00 H new ATOM 454 N ASN A 38 10.534 -19.347 2.409 1.00 0.00 N ATOM 455 CA ASN A 38 11.883 -18.901 2.737 1.00 0.00 C ATOM 456 C ASN A 38 11.889 -17.436 3.157 1.00 0.00 C ATOM 457 O ASN A 38 10.840 -16.801 3.237 1.00 0.00 O ATOM 458 CB ASN A 38 12.812 -19.107 1.540 1.00 0.00 C ATOM 459 CG ASN A 38 12.235 -18.544 0.257 1.00 0.00 C ATOM 460 OD1 ASN A 38 11.282 -17.766 0.279 1.00 0.00 O ATOM 461 ND2 ASN A 38 12.811 -18.936 -0.874 1.00 0.00 N ATOM 0 H ASN A 38 10.105 -18.856 1.624 1.00 0.00 H new ATOM 0 HA ASN A 38 12.242 -19.497 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.772 -18.632 1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.004 -20.172 1.412 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.465 -18.590 -1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.599 -19.583 -0.847 1.00 0.00 H new ATOM 468 N HIS A 39 13.078 -16.904 3.423 1.00 0.00 N ATOM 469 CA HIS A 39 13.218 -15.512 3.836 1.00 0.00 C ATOM 470 C HIS A 39 13.458 -14.605 2.633 1.00 0.00 C ATOM 471 O HIS A 39 14.266 -13.677 2.693 1.00 0.00 O ATOM 472 CB HIS A 39 14.367 -15.368 4.836 1.00 0.00 C ATOM 473 CG HIS A 39 14.011 -15.800 6.224 1.00 0.00 C ATOM 474 ND1 HIS A 39 12.824 -15.456 6.839 1.00 0.00 N ATOM 475 CD2 HIS A 39 14.690 -16.552 7.121 1.00 0.00 C ATOM 476 CE1 HIS A 39 12.792 -15.976 8.053 1.00 0.00 C ATOM 477 NE2 HIS A 39 13.912 -16.646 8.248 1.00 0.00 N ATOM 0 H HIS A 39 13.958 -17.416 3.360 1.00 0.00 H new ATOM 0 HA HIS A 39 12.287 -15.208 4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.216 -15.956 4.488 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.689 -14.327 4.860 1.00 0.00 H new ATOM 0 HD1 HIS A 39 12.086 -14.889 6.421 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.664 -16.996 6.977 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.986 -15.871 8.765 1.00 0.00 H new ATOM 486 N ALA A 40 12.751 -14.875 1.540 1.00 0.00 N ATOM 487 CA ALA A 40 12.887 -14.080 0.327 1.00 0.00 C ATOM 488 C ALA A 40 12.046 -12.812 0.413 1.00 0.00 C ATOM 489 O ALA A 40 10.817 -12.866 0.384 1.00 0.00 O ATOM 490 CB ALA A 40 12.485 -14.900 -0.890 1.00 0.00 C ATOM 0 H ALA A 40 12.078 -15.639 1.471 1.00 0.00 H new ATOM 0 HA ALA A 40 13.933 -13.790 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.592 -14.293 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.127 -15.777 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.447 -15.218 -0.788 1.00 0.00 H new ATOM 496 N ASP A 41 12.718 -11.670 0.524 1.00 0.00 N ATOM 497 CA ASP A 41 12.034 -10.384 0.621 1.00 0.00 C ATOM 498 C ASP A 41 10.959 -10.241 -0.454 1.00 0.00 C ATOM 499 O ASP A 41 11.235 -10.373 -1.646 1.00 0.00 O ATOM 500 CB ASP A 41 13.044 -9.241 0.498 1.00 0.00 C ATOM 501 CG ASP A 41 14.103 -9.285 1.582 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.497 -10.400 1.984 1.00 0.00 O ATOM 503 OD2 ASP A 41 14.538 -8.203 2.031 1.00 0.00 O ATOM 0 H ASP A 41 13.736 -11.609 0.549 1.00 0.00 H new ATOM 0 HA ASP A 41 11.548 -10.338 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.526 -9.289 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.517 -8.288 0.547 1.00 0.00 H new ATOM 508 N LEU A 42 9.731 -9.969 -0.020 1.00 0.00 N ATOM 509 CA LEU A 42 8.612 -9.805 -0.941 1.00 0.00 C ATOM 510 C LEU A 42 8.493 -8.354 -1.392 1.00 0.00 C ATOM 511 O LEU A 42 8.146 -8.073 -2.539 1.00 0.00 O ATOM 512 CB LEU A 42 7.308 -10.248 -0.275 1.00 0.00 C ATOM 513 CG LEU A 42 7.395 -11.551 0.520 1.00 0.00 C ATOM 514 CD1 LEU A 42 6.075 -11.838 1.218 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.783 -12.706 -0.394 1.00 0.00 C ATOM 0 H LEU A 42 9.487 -9.858 0.964 1.00 0.00 H new ATOM 0 HA LEU A 42 8.797 -10.429 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.972 -9.455 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.545 -10.361 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 42 8.167 -11.442 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.155 -12.769 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.840 -11.022 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.283 -11.929 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.841 -13.626 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.033 -12.818 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.753 -12.502 -0.847 1.00 0.00 H new ATOM 527 N GLY A 43 8.781 -7.437 -0.475 1.00 0.00 N ATOM 528 CA GLY A 43 8.700 -6.023 -0.785 1.00 0.00 C ATOM 529 C GLY A 43 8.451 -5.186 0.454 1.00 0.00 C ATOM 530 O GLY A 43 8.365 -5.719 1.559 1.00 0.00 O ATOM 0 H GLY A 43 9.070 -7.649 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.627 -5.702 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.898 -5.854 -1.504 1.00 0.00 H new ATOM 534 N ILE A 44 8.334 -3.874 0.270 1.00 0.00 N ATOM 535 CA ILE A 44 8.096 -2.961 1.385 1.00 0.00 C ATOM 536 C ILE A 44 6.661 -2.445 1.381 1.00 0.00 C ATOM 537 O ILE A 44 6.117 -2.099 0.331 1.00 0.00 O ATOM 538 CB ILE A 44 9.059 -1.751 1.353 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.369 -1.348 -0.090 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.342 -2.065 2.110 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.534 -2.106 -0.693 1.00 0.00 C ATOM 0 H ILE A 44 8.400 -3.419 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 44 8.276 -3.534 2.295 1.00 0.00 H new ATOM 0 HB ILE A 44 8.569 -0.911 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.483 -1.512 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.585 -0.280 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.006 -1.201 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.104 -2.299 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.836 -2.921 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.697 -1.769 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.432 -1.922 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.313 -3.173 -0.693 1.00 0.00 H new ATOM 553 N PHE A 45 6.055 -2.388 2.563 1.00 0.00 N ATOM 554 CA PHE A 45 4.685 -1.906 2.702 1.00 0.00 C ATOM 555 C PHE A 45 4.625 -0.746 3.688 1.00 0.00 C ATOM 556 O PHE A 45 5.299 -0.759 4.719 1.00 0.00 O ATOM 557 CB PHE A 45 3.758 -3.032 3.171 1.00 0.00 C ATOM 558 CG PHE A 45 4.147 -4.395 2.671 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.131 -5.125 3.315 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.531 -4.943 1.558 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.494 -6.378 2.860 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.890 -6.196 1.098 1.00 0.00 C ATOM 563 CZ PHE A 45 4.874 -6.914 1.749 1.00 0.00 C ATOM 0 H PHE A 45 6.492 -2.670 3.440 1.00 0.00 H new ATOM 0 HA PHE A 45 4.349 -1.560 1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.744 -3.047 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.742 -2.812 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.621 -4.710 4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.762 -4.385 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.262 -6.938 3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.401 -6.613 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.158 -7.892 1.390 1.00 0.00 H new ATOM 573 N VAL A 46 3.814 0.255 3.367 1.00 0.00 N ATOM 574 CA VAL A 46 3.662 1.424 4.225 1.00 0.00 C ATOM 575 C VAL A 46 3.242 1.019 5.634 1.00 0.00 C ATOM 576 O VAL A 46 2.105 0.614 5.860 1.00 0.00 O ATOM 577 CB VAL A 46 2.631 2.410 3.646 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.596 3.693 4.463 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.941 2.711 2.186 1.00 0.00 C ATOM 0 H VAL A 46 3.250 0.281 2.517 1.00 0.00 H new ATOM 0 HA VAL A 46 4.633 1.917 4.272 1.00 0.00 H new ATOM 0 HB VAL A 46 1.646 1.946 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.861 4.376 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.322 3.462 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.580 4.162 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.202 3.409 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.935 3.153 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.909 1.787 1.609 1.00 0.00 H new ATOM 589 N LYS A 47 4.173 1.130 6.575 1.00 0.00 N ATOM 590 CA LYS A 47 3.909 0.780 7.968 1.00 0.00 C ATOM 591 C LYS A 47 2.993 1.809 8.615 1.00 0.00 C ATOM 592 O LYS A 47 2.021 1.461 9.286 1.00 0.00 O ATOM 593 CB LYS A 47 5.220 0.691 8.752 1.00 0.00 C ATOM 594 CG LYS A 47 5.031 0.348 10.221 1.00 0.00 C ATOM 595 CD LYS A 47 4.729 -1.129 10.416 1.00 0.00 C ATOM 596 CE LYS A 47 4.254 -1.418 11.831 1.00 0.00 C ATOM 597 NZ LYS A 47 4.634 -2.787 12.276 1.00 0.00 N ATOM 0 H LYS A 47 5.122 1.461 6.398 1.00 0.00 H new ATOM 0 HA LYS A 47 3.415 -0.192 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.858 -0.063 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.745 1.643 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.931 0.612 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.216 0.944 10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.966 -1.443 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.623 -1.715 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.680 -0.683 12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.171 -1.308 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.870 -3.187 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.789 -3.392 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.508 -2.739 12.838 1.00 0.00 H new ATOM 611 N SER A 48 3.314 3.079 8.407 1.00 0.00 N ATOM 612 CA SER A 48 2.526 4.169 8.969 1.00 0.00 C ATOM 613 C SER A 48 2.897 5.499 8.319 1.00 0.00 C ATOM 614 O SER A 48 4.060 5.898 8.324 1.00 0.00 O ATOM 615 CB SER A 48 2.732 4.251 10.482 1.00 0.00 C ATOM 616 OG SER A 48 2.138 5.421 11.016 1.00 0.00 O ATOM 0 H SER A 48 4.115 3.380 7.853 1.00 0.00 H new ATOM 0 HA SER A 48 1.475 3.966 8.765 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.301 3.371 10.959 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.798 4.246 10.708 1.00 0.00 H new ATOM 0 HG SER A 48 2.283 5.448 11.985 1.00 0.00 H new ATOM 622 N ILE A 49 1.900 6.174 7.760 1.00 0.00 N ATOM 623 CA ILE A 49 2.122 7.455 7.102 1.00 0.00 C ATOM 624 C ILE A 49 2.037 8.608 8.094 1.00 0.00 C ATOM 625 O ILE A 49 1.019 8.798 8.759 1.00 0.00 O ATOM 626 CB ILE A 49 1.101 7.690 5.972 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.157 6.544 4.964 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.350 9.024 5.281 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.109 6.650 3.877 1.00 0.00 C ATOM 0 H ILE A 49 0.931 5.856 7.749 1.00 0.00 H new ATOM 0 HA ILE A 49 3.125 7.420 6.676 1.00 0.00 H new ATOM 0 HB ILE A 49 0.104 7.721 6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.145 6.521 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.029 5.599 5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.616 9.165 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.260 9.832 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.352 9.031 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.205 5.805 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.884 6.643 4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.250 7.579 3.325 1.00 0.00 H new ATOM 641 N ILE A 50 3.111 9.382 8.174 1.00 0.00 N ATOM 642 CA ILE A 50 3.158 10.529 9.070 1.00 0.00 C ATOM 643 C ILE A 50 2.137 11.576 8.642 1.00 0.00 C ATOM 644 O ILE A 50 2.281 12.201 7.592 1.00 0.00 O ATOM 645 CB ILE A 50 4.565 11.170 9.097 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.564 10.231 9.775 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.534 12.513 9.817 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.553 9.601 8.818 1.00 0.00 C ATOM 0 H ILE A 50 3.961 9.236 7.629 1.00 0.00 H new ATOM 0 HA ILE A 50 2.921 10.171 10.072 1.00 0.00 H new ATOM 0 HB ILE A 50 4.882 11.339 8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.112 10.786 10.536 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.016 9.441 10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.535 12.945 9.824 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.851 13.187 9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.194 12.368 10.843 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.229 8.948 9.371 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.015 9.017 8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.128 10.383 8.322 1.00 0.00 H new ATOM 660 N ASN A 51 1.108 11.764 9.460 1.00 0.00 N ATOM 661 CA ASN A 51 0.064 12.739 9.160 1.00 0.00 C ATOM 662 C ASN A 51 0.619 14.154 9.245 1.00 0.00 C ATOM 663 O ASN A 51 0.326 14.899 10.180 1.00 0.00 O ATOM 664 CB ASN A 51 -1.120 12.581 10.121 1.00 0.00 C ATOM 665 CG ASN A 51 -1.396 11.132 10.478 1.00 0.00 C ATOM 666 OD1 ASN A 51 -2.160 10.446 9.798 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.772 10.660 11.551 1.00 0.00 N ATOM 0 H ASN A 51 0.973 11.256 10.334 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.288 12.558 8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.920 13.144 11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.011 13.015 9.668 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.917 9.693 11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.147 11.264 12.085 1.00 0.00 H new ATOM 674 N GLY A 52 1.428 14.515 8.256 1.00 0.00 N ATOM 675 CA GLY A 52 2.027 15.831 8.222 1.00 0.00 C ATOM 676 C GLY A 52 3.171 15.905 7.232 1.00 0.00 C ATOM 677 O GLY A 52 3.451 16.967 6.674 1.00 0.00 O ATOM 0 H GLY A 52 1.680 13.913 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.269 16.568 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.390 16.091 9.216 1.00 0.00 H new ATOM 681 N GLY A 53 3.836 14.773 7.013 1.00 0.00 N ATOM 682 CA GLY A 53 4.944 14.737 6.084 1.00 0.00 C ATOM 683 C GLY A 53 4.511 14.967 4.649 1.00 0.00 C ATOM 684 O GLY A 53 3.366 15.333 4.385 1.00 0.00 O ATOM 0 H GLY A 53 3.625 13.883 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.674 15.496 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.444 13.771 6.158 1.00 0.00 H new ATOM 688 N ALA A 54 5.437 14.756 3.725 1.00 0.00 N ATOM 689 CA ALA A 54 5.171 14.949 2.304 1.00 0.00 C ATOM 690 C ALA A 54 4.211 13.902 1.751 1.00 0.00 C ATOM 691 O ALA A 54 3.373 14.207 0.903 1.00 0.00 O ATOM 692 CB ALA A 54 6.475 14.917 1.531 1.00 0.00 C ATOM 0 H ALA A 54 6.387 14.449 3.935 1.00 0.00 H new ATOM 0 HA ALA A 54 4.693 15.922 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.273 15.061 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.129 15.713 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.962 13.953 1.679 1.00 0.00 H new ATOM 698 N ALA A 55 4.343 12.669 2.221 1.00 0.00 N ATOM 699 CA ALA A 55 3.487 11.587 1.753 1.00 0.00 C ATOM 700 C ALA A 55 2.048 11.786 2.204 1.00 0.00 C ATOM 701 O ALA A 55 1.113 11.614 1.422 1.00 0.00 O ATOM 702 CB ALA A 55 4.015 10.247 2.232 1.00 0.00 C ATOM 0 H ALA A 55 5.031 12.394 2.922 1.00 0.00 H new ATOM 0 HA ALA A 55 3.499 11.598 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.364 9.450 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.023 10.094 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.039 10.234 3.322 1.00 0.00 H new ATOM 708 N SER A 56 1.875 12.159 3.464 1.00 0.00 N ATOM 709 CA SER A 56 0.544 12.392 4.005 1.00 0.00 C ATOM 710 C SER A 56 -0.091 13.586 3.311 1.00 0.00 C ATOM 711 O SER A 56 -1.300 13.620 3.077 1.00 0.00 O ATOM 712 CB SER A 56 0.614 12.637 5.512 1.00 0.00 C ATOM 713 OG SER A 56 -0.570 13.254 5.987 1.00 0.00 O ATOM 0 H SER A 56 2.635 12.306 4.128 1.00 0.00 H new ATOM 0 HA SER A 56 -0.067 11.507 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.767 11.690 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.473 13.268 5.741 1.00 0.00 H new ATOM 0 HG SER A 56 -0.348 14.117 6.394 1.00 0.00 H new ATOM 719 N LYS A 57 0.744 14.562 2.973 1.00 0.00 N ATOM 720 CA LYS A 57 0.291 15.764 2.292 1.00 0.00 C ATOM 721 C LYS A 57 -0.140 15.447 0.867 1.00 0.00 C ATOM 722 O LYS A 57 -1.038 16.086 0.319 1.00 0.00 O ATOM 723 CB LYS A 57 1.396 16.801 2.290 1.00 0.00 C ATOM 724 CG LYS A 57 1.523 17.500 3.623 1.00 0.00 C ATOM 725 CD LYS A 57 2.687 18.456 3.624 1.00 0.00 C ATOM 726 CE LYS A 57 2.282 19.808 3.064 1.00 0.00 C ATOM 727 NZ LYS A 57 3.349 20.829 3.244 1.00 0.00 N ATOM 0 H LYS A 57 1.746 14.541 3.163 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.571 16.163 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.342 16.321 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.199 17.538 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.603 18.042 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.654 16.761 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.062 18.577 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.502 18.042 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.052 19.707 2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.370 20.146 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.031 21.737 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.551 20.945 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.212 20.520 2.752 1.00 0.00 H new ATOM 741 N ASP A 58 0.509 14.448 0.275 1.00 0.00 N ATOM 742 CA ASP A 58 0.200 14.031 -1.087 1.00 0.00 C ATOM 743 C ASP A 58 -1.280 13.684 -1.221 1.00 0.00 C ATOM 744 O ASP A 58 -1.877 13.862 -2.282 1.00 0.00 O ATOM 745 CB ASP A 58 1.058 12.826 -1.477 1.00 0.00 C ATOM 746 CG ASP A 58 1.666 12.972 -2.856 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.763 14.120 -3.343 1.00 0.00 O ATOM 748 OD2 ASP A 58 2.039 11.941 -3.452 1.00 0.00 O ATOM 0 H ASP A 58 1.254 13.912 0.720 1.00 0.00 H new ATOM 0 HA ASP A 58 0.424 14.859 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.854 12.698 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.448 11.924 -1.446 1.00 0.00 H new ATOM 753 N GLY A 59 -1.864 13.197 -0.133 1.00 0.00 N ATOM 754 CA GLY A 59 -3.270 12.839 -0.139 1.00 0.00 C ATOM 755 C GLY A 59 -3.576 11.624 -0.996 1.00 0.00 C ATOM 756 O GLY A 59 -4.734 11.375 -1.330 1.00 0.00 O ATOM 0 H GLY A 59 -1.388 13.043 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.593 12.644 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.852 13.686 -0.501 1.00 0.00 H new ATOM 760 N ARG A 60 -2.547 10.858 -1.347 1.00 0.00 N ATOM 761 CA ARG A 60 -2.734 9.660 -2.162 1.00 0.00 C ATOM 762 C ARG A 60 -1.934 8.487 -1.607 1.00 0.00 C ATOM 763 O ARG A 60 -1.802 7.451 -2.258 1.00 0.00 O ATOM 764 CB ARG A 60 -2.326 9.932 -3.611 1.00 0.00 C ATOM 765 CG ARG A 60 -0.841 10.204 -3.784 1.00 0.00 C ATOM 766 CD ARG A 60 -0.577 11.080 -4.996 1.00 0.00 C ATOM 767 NE ARG A 60 -0.464 12.488 -4.629 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.140 13.454 -5.486 1.00 0.00 C ATOM 769 NH1 ARG A 60 0.072 13.171 -6.765 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.027 14.705 -5.062 1.00 0.00 N ATOM 0 H ARG A 60 -1.580 11.043 -1.082 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.791 9.397 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.604 9.075 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.889 10.787 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.452 10.690 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.307 9.260 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.341 10.757 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.384 10.956 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.644 12.747 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.013 12.210 -7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.320 13.915 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.188 14.927 -4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.221 15.445 -5.718 1.00 0.00 H new ATOM 784 N LEU A 61 -1.402 8.654 -0.399 1.00 0.00 N ATOM 785 CA LEU A 61 -0.618 7.608 0.243 1.00 0.00 C ATOM 786 C LEU A 61 -1.433 6.919 1.333 1.00 0.00 C ATOM 787 O LEU A 61 -2.085 7.575 2.143 1.00 0.00 O ATOM 788 CB LEU A 61 0.663 8.198 0.836 1.00 0.00 C ATOM 789 CG LEU A 61 1.936 7.877 0.052 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.602 9.152 -0.442 1.00 0.00 C ATOM 791 CD2 LEU A 61 2.902 7.064 0.902 1.00 0.00 C ATOM 0 H LEU A 61 -1.501 9.505 0.154 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.350 6.866 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.554 9.281 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.778 7.831 1.856 1.00 0.00 H new ATOM 0 HG LEU A 61 1.657 7.279 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.505 8.899 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.915 9.692 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.863 9.780 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.801 6.847 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.171 7.633 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.427 6.129 1.199 1.00 0.00 H new ATOM 803 N ARG A 62 -1.391 5.592 1.345 1.00 0.00 N ATOM 804 CA ARG A 62 -2.126 4.815 2.338 1.00 0.00 C ATOM 805 C ARG A 62 -1.241 3.731 2.940 1.00 0.00 C ATOM 806 O ARG A 62 -0.386 3.161 2.260 1.00 0.00 O ATOM 807 CB ARG A 62 -3.372 4.176 1.715 1.00 0.00 C ATOM 808 CG ARG A 62 -3.909 4.920 0.504 1.00 0.00 C ATOM 809 CD ARG A 62 -3.263 4.424 -0.778 1.00 0.00 C ATOM 810 NE ARG A 62 -3.319 5.422 -1.842 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.427 5.728 -2.514 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.569 5.109 -2.242 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.389 6.653 -3.462 1.00 0.00 N ATOM 0 H ARG A 62 -0.857 5.032 0.680 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.437 5.497 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.136 3.152 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.155 4.120 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.989 4.789 0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.723 5.988 0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.223 4.162 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.765 3.514 -1.108 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.459 5.914 -2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.601 4.395 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.415 5.348 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.512 7.129 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.236 6.889 -3.978 1.00 0.00 H new ATOM 827 N VAL A 63 -1.452 3.449 4.220 1.00 0.00 N ATOM 828 CA VAL A 63 -0.676 2.431 4.914 1.00 0.00 C ATOM 829 C VAL A 63 -0.966 1.044 4.344 1.00 0.00 C ATOM 830 O VAL A 63 -2.072 0.778 3.875 1.00 0.00 O ATOM 831 CB VAL A 63 -0.972 2.443 6.427 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.094 1.441 7.163 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.769 3.841 6.990 1.00 0.00 C ATOM 0 H VAL A 63 -2.154 3.911 4.798 1.00 0.00 H new ATOM 0 HA VAL A 63 0.378 2.663 4.762 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.012 2.151 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.323 1.470 8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.284 0.439 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.955 1.695 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.981 3.837 8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.262 4.153 6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.443 4.536 6.489 1.00 0.00 H new ATOM 843 N ASN A 64 0.041 0.168 4.385 1.00 0.00 N ATOM 844 CA ASN A 64 -0.083 -1.201 3.873 1.00 0.00 C ATOM 845 C ASN A 64 0.177 -1.260 2.367 1.00 0.00 C ATOM 846 O ASN A 64 0.193 -2.342 1.779 1.00 0.00 O ATOM 847 CB ASN A 64 -1.463 -1.792 4.189 1.00 0.00 C ATOM 848 CG ASN A 64 -1.916 -1.488 5.605 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.283 -1.906 6.575 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.017 -0.758 5.729 1.00 0.00 N ATOM 0 H ASN A 64 0.960 0.385 4.771 1.00 0.00 H new ATOM 0 HA ASN A 64 0.675 -1.800 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.194 -1.396 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.434 -2.872 4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.371 -0.522 6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.510 -0.433 4.897 1.00 0.00 H new ATOM 857 N ASP A 65 0.385 -0.101 1.746 1.00 0.00 N ATOM 858 CA ASP A 65 0.650 -0.042 0.313 1.00 0.00 C ATOM 859 C ASP A 65 2.041 -0.585 -0.001 1.00 0.00 C ATOM 860 O ASP A 65 3.030 -0.165 0.600 1.00 0.00 O ATOM 861 CB ASP A 65 0.523 1.396 -0.193 1.00 0.00 C ATOM 862 CG ASP A 65 -0.880 1.721 -0.664 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.830 1.537 0.126 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.029 2.163 -1.823 1.00 0.00 O ATOM 0 H ASP A 65 0.375 0.806 2.212 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.088 -0.662 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.805 2.085 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.224 1.553 -1.013 1.00 0.00 H new ATOM 869 N GLN A 66 2.110 -1.521 -0.940 1.00 0.00 N ATOM 870 CA GLN A 66 3.381 -2.124 -1.327 1.00 0.00 C ATOM 871 C GLN A 66 4.085 -1.280 -2.388 1.00 0.00 C ATOM 872 O GLN A 66 3.486 -0.915 -3.400 1.00 0.00 O ATOM 873 CB GLN A 66 3.154 -3.545 -1.852 1.00 0.00 C ATOM 874 CG GLN A 66 4.405 -4.200 -2.422 1.00 0.00 C ATOM 875 CD GLN A 66 4.850 -5.408 -1.622 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.337 -6.511 -1.805 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.811 -5.204 -0.728 1.00 0.00 N ATOM 0 H GLN A 66 1.301 -1.879 -1.448 1.00 0.00 H new ATOM 0 HA GLN A 66 4.019 -2.168 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.769 -4.164 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.386 -3.518 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.215 -4.502 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.213 -3.469 -2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.208 -4.272 -0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.152 -5.979 -0.160 1.00 0.00 H new ATOM 886 N LEU A 67 5.360 -0.984 -2.154 1.00 0.00 N ATOM 887 CA LEU A 67 6.143 -0.192 -3.096 1.00 0.00 C ATOM 888 C LEU A 67 6.651 -1.065 -4.237 1.00 0.00 C ATOM 889 O LEU A 67 7.127 -2.178 -4.016 1.00 0.00 O ATOM 890 CB LEU A 67 7.325 0.478 -2.394 1.00 0.00 C ATOM 891 CG LEU A 67 6.955 1.477 -1.300 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.189 1.873 -0.503 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.292 2.707 -1.904 1.00 0.00 C ATOM 0 H LEU A 67 5.872 -1.280 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 67 5.492 0.582 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.954 -0.298 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.927 0.992 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 67 6.245 1.001 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.908 2.585 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.624 0.987 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.921 2.331 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.035 3.408 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.979 3.185 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.386 2.410 -2.433 1.00 0.00 H new ATOM 905 N ILE A 68 6.542 -0.553 -5.456 1.00 0.00 N ATOM 906 CA ILE A 68 6.987 -1.284 -6.634 1.00 0.00 C ATOM 907 C ILE A 68 8.090 -0.531 -7.369 1.00 0.00 C ATOM 908 O ILE A 68 8.941 -1.138 -8.018 1.00 0.00 O ATOM 909 CB ILE A 68 5.822 -1.542 -7.610 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.592 -2.042 -6.851 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.237 -2.543 -8.678 1.00 0.00 C ATOM 912 CD1 ILE A 68 4.806 -3.373 -6.165 1.00 0.00 C ATOM 0 H ILE A 68 6.149 0.367 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 68 7.376 -2.239 -6.281 1.00 0.00 H new ATOM 0 HB ILE A 68 5.565 -0.603 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.308 -1.299 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.757 -2.131 -7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.404 -2.715 -9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.086 -2.149 -9.236 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.519 -3.484 -8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.893 -3.666 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.060 -4.129 -6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.620 -3.285 -5.445 1.00 0.00 H new ATOM 924 N ALA A 69 8.070 0.796 -7.266 1.00 0.00 N ATOM 925 CA ALA A 69 9.071 1.624 -7.926 1.00 0.00 C ATOM 926 C ALA A 69 9.151 3.009 -7.294 1.00 0.00 C ATOM 927 O ALA A 69 8.156 3.538 -6.799 1.00 0.00 O ATOM 928 CB ALA A 69 8.759 1.740 -9.411 1.00 0.00 C ATOM 0 H ALA A 69 7.374 1.317 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 69 10.041 1.143 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.514 2.361 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.763 0.748 -9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.777 2.195 -9.542 1.00 0.00 H new ATOM 934 N VAL A 70 10.345 3.591 -7.320 1.00 0.00 N ATOM 935 CA VAL A 70 10.567 4.918 -6.757 1.00 0.00 C ATOM 936 C VAL A 70 11.459 5.746 -7.677 1.00 0.00 C ATOM 937 O VAL A 70 12.520 5.290 -8.102 1.00 0.00 O ATOM 938 CB VAL A 70 11.209 4.837 -5.357 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.537 4.096 -5.420 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.394 6.226 -4.763 1.00 0.00 C ATOM 0 H VAL A 70 11.177 3.163 -7.726 1.00 0.00 H new ATOM 0 HA VAL A 70 9.594 5.399 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 70 10.536 4.280 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.975 4.049 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.372 3.085 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.216 4.623 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.848 6.142 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.042 6.816 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.424 6.716 -4.676 1.00 0.00 H new ATOM 950 N ASN A 71 11.020 6.963 -7.986 1.00 0.00 N ATOM 951 CA ASN A 71 11.780 7.846 -8.865 1.00 0.00 C ATOM 952 C ASN A 71 11.970 7.209 -10.239 1.00 0.00 C ATOM 953 O ASN A 71 12.933 7.509 -10.944 1.00 0.00 O ATOM 954 CB ASN A 71 13.146 8.160 -8.255 1.00 0.00 C ATOM 955 CG ASN A 71 13.113 9.363 -7.335 1.00 0.00 C ATOM 956 OD1 ASN A 71 13.325 10.496 -7.766 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.844 9.121 -6.058 1.00 0.00 N ATOM 0 H ASN A 71 10.145 7.359 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 71 11.216 8.772 -8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.499 7.292 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.864 8.339 -9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.807 9.891 -5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.675 8.165 -5.745 1.00 0.00 H new ATOM 964 N GLY A 72 11.052 6.322 -10.609 1.00 0.00 N ATOM 965 CA GLY A 72 11.146 5.650 -11.891 1.00 0.00 C ATOM 966 C GLY A 72 12.060 4.439 -11.838 1.00 0.00 C ATOM 967 O GLY A 72 12.554 3.980 -12.869 1.00 0.00 O ATOM 0 H GLY A 72 10.245 6.057 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.151 5.339 -12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.516 6.350 -12.640 1.00 0.00 H new ATOM 971 N GLU A 73 12.283 3.921 -10.634 1.00 0.00 N ATOM 972 CA GLU A 73 13.141 2.757 -10.446 1.00 0.00 C ATOM 973 C GLU A 73 12.425 1.685 -9.634 1.00 0.00 C ATOM 974 O GLU A 73 12.164 1.864 -8.444 1.00 0.00 O ATOM 975 CB GLU A 73 14.440 3.160 -9.743 1.00 0.00 C ATOM 976 CG GLU A 73 14.997 4.495 -10.209 1.00 0.00 C ATOM 977 CD GLU A 73 16.504 4.470 -10.387 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.041 3.401 -10.743 1.00 0.00 O ATOM 979 OE2 GLU A 73 17.144 5.519 -10.167 1.00 0.00 O ATOM 0 H GLU A 73 11.880 4.290 -9.773 1.00 0.00 H new ATOM 0 HA GLU A 73 13.380 2.350 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.262 3.205 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.189 2.386 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.528 4.770 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.733 5.267 -9.486 1.00 0.00 H new ATOM 986 N SER A 74 12.105 0.571 -10.283 1.00 0.00 N ATOM 987 CA SER A 74 11.414 -0.529 -9.620 1.00 0.00 C ATOM 988 C SER A 74 12.203 -1.027 -8.412 1.00 0.00 C ATOM 989 O SER A 74 13.433 -0.957 -8.389 1.00 0.00 O ATOM 990 CB SER A 74 11.181 -1.678 -10.600 1.00 0.00 C ATOM 991 OG SER A 74 11.254 -1.228 -11.942 1.00 0.00 O ATOM 0 H SER A 74 12.313 0.406 -11.268 1.00 0.00 H new ATOM 0 HA SER A 74 10.451 -0.157 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.924 -2.458 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.204 -2.125 -10.416 1.00 0.00 H new ATOM 0 HG SER A 74 11.103 -1.983 -12.549 1.00 0.00 H new ATOM 997 N LEU A 75 11.488 -1.530 -7.411 1.00 0.00 N ATOM 998 CA LEU A 75 12.118 -2.040 -6.198 1.00 0.00 C ATOM 999 C LEU A 75 11.914 -3.548 -6.057 1.00 0.00 C ATOM 1000 O LEU A 75 12.650 -4.216 -5.332 1.00 0.00 O ATOM 1001 CB LEU A 75 11.555 -1.329 -4.967 1.00 0.00 C ATOM 1002 CG LEU A 75 11.595 0.199 -5.022 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.404 0.789 -4.282 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.899 0.716 -4.435 1.00 0.00 C ATOM 0 H LEU A 75 10.470 -1.596 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 75 13.187 -1.843 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.521 -1.645 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.112 -1.660 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 75 11.539 0.510 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.448 1.877 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.480 0.442 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.430 0.471 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.912 1.805 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.983 0.396 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.738 0.318 -5.006 1.00 0.00 H new ATOM 1016 N LEU A 76 10.911 -4.081 -6.750 1.00 0.00 N ATOM 1017 CA LEU A 76 10.614 -5.509 -6.691 1.00 0.00 C ATOM 1018 C LEU A 76 11.843 -6.346 -7.043 1.00 0.00 C ATOM 1019 O LEU A 76 11.951 -7.504 -6.639 1.00 0.00 O ATOM 1020 CB LEU A 76 9.464 -5.851 -7.641 1.00 0.00 C ATOM 1021 CG LEU A 76 8.553 -6.985 -7.168 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.779 -6.568 -5.928 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.600 -7.401 -8.279 1.00 0.00 C ATOM 0 H LEU A 76 10.291 -3.546 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 76 10.320 -5.746 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.859 -4.957 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.881 -6.121 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 76 9.176 -7.841 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.137 -7.388 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.478 -6.320 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.167 -5.696 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.959 -8.209 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.984 -6.549 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.173 -7.743 -9.141 1.00 0.00 H new ATOM 1035 N GLY A 77 12.766 -5.756 -7.797 1.00 0.00 N ATOM 1036 CA GLY A 77 13.969 -6.468 -8.188 1.00 0.00 C ATOM 1037 C GLY A 77 15.006 -6.536 -7.080 1.00 0.00 C ATOM 1038 O GLY A 77 16.063 -7.140 -7.251 1.00 0.00 O ATOM 0 H GLY A 77 12.702 -4.799 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.703 -7.481 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.407 -5.979 -9.058 1.00 0.00 H new ATOM 1042 N LYS A 78 14.707 -5.913 -5.941 1.00 0.00 N ATOM 1043 CA LYS A 78 15.627 -5.913 -4.809 1.00 0.00 C ATOM 1044 C LYS A 78 14.897 -6.181 -3.505 1.00 0.00 C ATOM 1045 O LYS A 78 13.678 -6.039 -3.414 1.00 0.00 O ATOM 1046 CB LYS A 78 16.372 -4.579 -4.728 1.00 0.00 C ATOM 1047 CG LYS A 78 15.457 -3.379 -4.547 1.00 0.00 C ATOM 1048 CD LYS A 78 16.227 -2.072 -4.631 1.00 0.00 C ATOM 1049 CE LYS A 78 16.952 -1.938 -5.961 1.00 0.00 C ATOM 1050 NZ LYS A 78 16.061 -2.242 -7.113 1.00 0.00 N ATOM 0 H LYS A 78 13.838 -5.404 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 78 16.348 -6.715 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.077 -4.616 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.958 -4.444 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.680 -3.394 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.955 -3.445 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.541 -1.235 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.948 -2.020 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.342 -0.925 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.808 -2.612 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.544 -1.994 -8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.831 -3.256 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.184 -1.689 -7.029 1.00 0.00 H new ATOM 1064 N ALA A 79 15.662 -6.583 -2.502 1.00 0.00 N ATOM 1065 CA ALA A 79 15.120 -6.893 -1.191 1.00 0.00 C ATOM 1066 C ALA A 79 14.434 -5.681 -0.568 1.00 0.00 C ATOM 1067 O ALA A 79 14.430 -4.593 -1.141 1.00 0.00 O ATOM 1068 CB ALA A 79 16.234 -7.401 -0.295 1.00 0.00 C ATOM 0 H ALA A 79 16.672 -6.703 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 79 14.362 -7.668 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.831 -7.635 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.670 -8.300 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.003 -6.634 -0.200 1.00 0.00 H new ATOM 1074 N ASN A 80 13.848 -5.881 0.611 1.00 0.00 N ATOM 1075 CA ASN A 80 13.152 -4.807 1.313 1.00 0.00 C ATOM 1076 C ASN A 80 14.127 -3.731 1.775 1.00 0.00 C ATOM 1077 O ASN A 80 13.987 -2.562 1.419 1.00 0.00 O ATOM 1078 CB ASN A 80 12.397 -5.362 2.519 1.00 0.00 C ATOM 1079 CG ASN A 80 11.632 -6.629 2.194 1.00 0.00 C ATOM 1080 OD1 ASN A 80 10.678 -6.611 1.416 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.049 -7.739 2.790 1.00 0.00 N ATOM 0 H ASN A 80 13.842 -6.777 1.099 1.00 0.00 H new ATOM 0 HA ASN A 80 12.443 -4.359 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.104 -5.565 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.703 -4.607 2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.574 -8.624 2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.844 -7.707 3.428 1.00 0.00 H new ATOM 1088 N GLN A 81 15.113 -4.134 2.571 1.00 0.00 N ATOM 1089 CA GLN A 81 16.107 -3.197 3.082 1.00 0.00 C ATOM 1090 C GLN A 81 16.831 -2.505 1.934 1.00 0.00 C ATOM 1091 O GLN A 81 17.172 -1.325 2.018 1.00 0.00 O ATOM 1092 CB GLN A 81 17.115 -3.919 3.977 1.00 0.00 C ATOM 1093 CG GLN A 81 17.671 -5.192 3.366 1.00 0.00 C ATOM 1094 CD GLN A 81 18.945 -4.952 2.580 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.912 -4.393 3.098 1.00 0.00 O ATOM 1096 NE2 GLN A 81 18.950 -5.376 1.323 1.00 0.00 N ATOM 0 H GLN A 81 15.245 -5.099 2.875 1.00 0.00 H new ATOM 0 HA GLN A 81 15.590 -2.443 3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.940 -3.242 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.637 -4.161 4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.867 -5.915 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.921 -5.634 2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.125 -5.834 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.779 -5.244 0.743 1.00 0.00 H new ATOM 1105 N GLU A 82 17.043 -3.245 0.854 1.00 0.00 N ATOM 1106 CA GLU A 82 17.705 -2.706 -0.322 1.00 0.00 C ATOM 1107 C GLU A 82 16.786 -1.714 -1.010 1.00 0.00 C ATOM 1108 O GLU A 82 17.210 -0.642 -1.442 1.00 0.00 O ATOM 1109 CB GLU A 82 18.089 -3.832 -1.285 1.00 0.00 C ATOM 1110 CG GLU A 82 19.572 -3.875 -1.613 1.00 0.00 C ATOM 1111 CD GLU A 82 19.839 -3.988 -3.102 1.00 0.00 C ATOM 1112 OE1 GLU A 82 19.834 -2.943 -3.786 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.055 -5.121 -3.582 1.00 0.00 O ATOM 0 H GLU A 82 16.765 -4.223 0.770 1.00 0.00 H new ATOM 0 HA GLU A 82 18.618 -2.196 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.794 -4.787 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.524 -3.716 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.051 -2.974 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.029 -4.722 -1.101 1.00 0.00 H new ATOM 1120 N ALA A 83 15.516 -2.087 -1.097 1.00 0.00 N ATOM 1121 CA ALA A 83 14.514 -1.242 -1.721 1.00 0.00 C ATOM 1122 C ALA A 83 14.236 -0.009 -0.871 1.00 0.00 C ATOM 1123 O ALA A 83 13.909 1.056 -1.393 1.00 0.00 O ATOM 1124 CB ALA A 83 13.235 -2.026 -1.956 1.00 0.00 C ATOM 0 H ALA A 83 15.157 -2.973 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 83 14.901 -0.908 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.493 -1.380 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.442 -2.873 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.850 -2.389 -1.003 1.00 0.00 H new ATOM 1130 N MET A 84 14.371 -0.160 0.444 1.00 0.00 N ATOM 1131 CA MET A 84 14.134 0.945 1.363 1.00 0.00 C ATOM 1132 C MET A 84 15.259 1.966 1.274 1.00 0.00 C ATOM 1133 O MET A 84 15.034 3.164 1.419 1.00 0.00 O ATOM 1134 CB MET A 84 13.986 0.437 2.795 1.00 0.00 C ATOM 1135 CG MET A 84 12.598 0.682 3.372 1.00 0.00 C ATOM 1136 SD MET A 84 12.276 -0.262 4.872 1.00 0.00 S ATOM 1137 CE MET A 84 13.006 -1.838 4.449 1.00 0.00 C ATOM 0 H MET A 84 14.642 -1.034 0.894 1.00 0.00 H new ATOM 0 HA MET A 84 13.202 1.432 1.075 1.00 0.00 H new ATOM 0 HB2 MET A 84 14.201 -0.631 2.820 1.00 0.00 H new ATOM 0 HB3 MET A 84 14.728 0.926 3.427 1.00 0.00 H new ATOM 0 HG2 MET A 84 12.484 1.744 3.587 1.00 0.00 H new ATOM 0 HG3 MET A 84 11.850 0.426 2.622 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.568 -2.620 5.070 1.00 0.00 H new ATOM 0 HE2 MET A 84 12.814 -2.058 3.399 1.00 0.00 H new ATOM 0 HE3 MET A 84 14.082 -1.798 4.620 1.00 0.00 H new ATOM 1147 N GLU A 85 16.471 1.486 1.015 1.00 0.00 N ATOM 1148 CA GLU A 85 17.620 2.371 0.883 1.00 0.00 C ATOM 1149 C GLU A 85 17.594 3.042 -0.488 1.00 0.00 C ATOM 1150 O GLU A 85 18.097 4.152 -0.663 1.00 0.00 O ATOM 1151 CB GLU A 85 18.929 1.594 1.088 1.00 0.00 C ATOM 1152 CG GLU A 85 19.572 1.095 -0.199 1.00 0.00 C ATOM 1153 CD GLU A 85 20.345 -0.195 -0.005 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.112 -0.879 1.013 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.183 -0.520 -0.872 1.00 0.00 O ATOM 0 H GLU A 85 16.681 0.495 0.893 1.00 0.00 H new ATOM 0 HA GLU A 85 17.567 3.141 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 85 19.640 2.235 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.733 0.740 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.798 0.940 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.244 1.862 -0.586 1.00 0.00 H new ATOM 1162 N THR A 86 16.994 2.351 -1.455 1.00 0.00 N ATOM 1163 CA THR A 86 16.881 2.860 -2.813 1.00 0.00 C ATOM 1164 C THR A 86 15.855 3.989 -2.878 1.00 0.00 C ATOM 1165 O THR A 86 16.042 4.966 -3.600 1.00 0.00 O ATOM 1166 CB THR A 86 16.492 1.718 -3.764 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.644 1.020 -4.201 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.737 2.169 -5.000 1.00 0.00 C ATOM 0 H THR A 86 16.577 1.430 -1.318 1.00 0.00 H new ATOM 0 HA THR A 86 17.845 3.263 -3.122 1.00 0.00 H new ATOM 0 HB THR A 86 15.830 1.081 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.877 0.330 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.500 1.303 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.814 2.665 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.354 2.864 -5.570 1.00 0.00 H new ATOM 1176 N LEU A 87 14.782 3.858 -2.104 1.00 0.00 N ATOM 1177 CA LEU A 87 13.749 4.884 -2.067 1.00 0.00 C ATOM 1178 C LEU A 87 14.212 6.037 -1.194 1.00 0.00 C ATOM 1179 O LEU A 87 13.914 7.200 -1.461 1.00 0.00 O ATOM 1180 CB LEU A 87 12.419 4.315 -1.559 1.00 0.00 C ATOM 1181 CG LEU A 87 12.424 3.788 -0.124 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.104 4.904 0.860 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.427 2.650 0.020 1.00 0.00 C ATOM 0 H LEU A 87 14.607 3.056 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 87 13.580 5.248 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.659 5.093 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.115 3.505 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 87 13.421 3.410 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.113 4.507 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.852 5.692 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.118 5.313 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.440 2.283 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.427 3.009 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.698 1.841 -0.658 1.00 0.00 H new ATOM 1195 N ARG A 88 14.962 5.692 -0.154 1.00 0.00 N ATOM 1196 CA ARG A 88 15.501 6.671 0.772 1.00 0.00 C ATOM 1197 C ARG A 88 16.432 7.635 0.046 1.00 0.00 C ATOM 1198 O ARG A 88 16.282 8.853 0.136 1.00 0.00 O ATOM 1199 CB ARG A 88 16.258 5.950 1.885 1.00 0.00 C ATOM 1200 CG ARG A 88 15.689 6.197 3.271 1.00 0.00 C ATOM 1201 CD ARG A 88 16.533 5.534 4.349 1.00 0.00 C ATOM 1202 NE ARG A 88 16.873 6.461 5.426 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.265 6.075 6.640 1.00 0.00 C ATOM 1204 NH1 ARG A 88 17.371 4.786 6.934 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.553 6.984 7.562 1.00 0.00 N ATOM 0 H ARG A 88 15.211 4.728 0.068 1.00 0.00 H new ATOM 0 HA ARG A 88 14.680 7.245 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.248 4.879 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.300 6.268 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.637 7.270 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.669 5.815 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.991 4.683 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.448 5.144 3.904 1.00 0.00 H new ATOM 0 HE ARG A 88 16.807 7.461 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.152 4.082 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.672 4.498 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.474 7.977 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.853 6.690 8.492 1.00 0.00 H new ATOM 1219 N ARG A 89 17.393 7.075 -0.683 1.00 0.00 N ATOM 1220 CA ARG A 89 18.349 7.872 -1.437 1.00 0.00 C ATOM 1221 C ARG A 89 17.669 8.504 -2.647 1.00 0.00 C ATOM 1222 O ARG A 89 18.002 9.616 -3.049 1.00 0.00 O ATOM 1223 CB ARG A 89 19.549 7.000 -1.849 1.00 0.00 C ATOM 1224 CG ARG A 89 19.863 7.000 -3.339 1.00 0.00 C ATOM 1225 CD ARG A 89 18.928 6.072 -4.091 1.00 0.00 C ATOM 1226 NE ARG A 89 18.677 6.524 -5.457 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.478 6.255 -6.487 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.591 5.554 -6.309 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.164 6.691 -7.701 1.00 0.00 N ATOM 0 H ARG A 89 17.529 6.067 -0.766 1.00 0.00 H new ATOM 0 HA ARG A 89 18.723 8.681 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.431 7.342 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.359 5.974 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.772 8.012 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.895 6.688 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.357 5.070 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.982 6.001 -3.555 1.00 0.00 H new ATOM 0 HE ARG A 89 17.839 7.078 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.838 5.217 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.199 5.352 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.311 7.231 -7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.776 6.486 -8.491 1.00 0.00 H new ATOM 1243 N SER A 90 16.710 7.786 -3.220 1.00 0.00 N ATOM 1244 CA SER A 90 15.981 8.277 -4.381 1.00 0.00 C ATOM 1245 C SER A 90 15.022 9.392 -3.982 1.00 0.00 C ATOM 1246 O SER A 90 14.730 10.283 -4.776 1.00 0.00 O ATOM 1247 CB SER A 90 15.214 7.135 -5.049 1.00 0.00 C ATOM 1248 OG SER A 90 16.097 6.242 -5.705 1.00 0.00 O ATOM 0 H SER A 90 16.420 6.862 -2.899 1.00 0.00 H new ATOM 0 HA SER A 90 16.702 8.680 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.635 6.594 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.503 7.542 -5.768 1.00 0.00 H new ATOM 0 HG SER A 90 16.430 5.580 -5.063 1.00 0.00 H new ATOM 1254 N MET A 91 14.537 9.335 -2.746 1.00 0.00 N ATOM 1255 CA MET A 91 13.609 10.341 -2.243 1.00 0.00 C ATOM 1256 C MET A 91 14.353 11.532 -1.644 1.00 0.00 C ATOM 1257 O MET A 91 13.800 12.624 -1.531 1.00 0.00 O ATOM 1258 CB MET A 91 12.675 9.728 -1.198 1.00 0.00 C ATOM 1259 CG MET A 91 13.315 9.511 0.167 1.00 0.00 C ATOM 1260 SD MET A 91 12.122 9.000 1.417 1.00 0.00 S ATOM 1261 CE MET A 91 10.955 8.084 0.415 1.00 0.00 C ATOM 0 H MET A 91 14.771 8.603 -2.075 1.00 0.00 H new ATOM 0 HA MET A 91 13.017 10.699 -3.085 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.807 10.376 -1.080 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.310 8.771 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.094 8.754 0.083 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.800 10.433 0.488 1.00 0.00 H new ATOM 0 HE1 MET A 91 10.203 7.628 1.058 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.469 8.761 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.482 7.305 -0.136 1.00 0.00 H new ATOM 1271 N SER A 92 15.603 11.310 -1.245 1.00 0.00 N ATOM 1272 CA SER A 92 16.403 12.371 -0.640 1.00 0.00 C ATOM 1273 C SER A 92 17.576 12.781 -1.531 1.00 0.00 C ATOM 1274 O SER A 92 18.566 13.328 -1.045 1.00 0.00 O ATOM 1275 CB SER A 92 16.927 11.921 0.725 1.00 0.00 C ATOM 1276 OG SER A 92 17.226 13.035 1.549 1.00 0.00 O ATOM 0 H SER A 92 16.081 10.413 -1.329 1.00 0.00 H new ATOM 0 HA SER A 92 15.755 13.239 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.183 11.292 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.821 11.312 0.592 1.00 0.00 H new ATOM 0 HG SER A 92 17.840 13.635 1.077 1.00 0.00 H new ATOM 1282 N THR A 93 17.466 12.517 -2.829 1.00 0.00 N ATOM 1283 CA THR A 93 18.531 12.869 -3.760 1.00 0.00 C ATOM 1284 C THR A 93 18.002 13.063 -5.180 1.00 0.00 C ATOM 1285 O THR A 93 18.443 13.960 -5.897 1.00 0.00 O ATOM 1286 CB THR A 93 19.619 11.789 -3.726 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.908 12.374 -3.711 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.568 10.819 -4.886 1.00 0.00 C ATOM 0 H THR A 93 16.658 12.065 -3.257 1.00 0.00 H new ATOM 0 HA THR A 93 18.958 13.822 -3.447 1.00 0.00 H new ATOM 0 HB THR A 93 19.422 11.229 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.587 11.668 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.371 10.089 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.607 10.304 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 93 19.689 11.364 -5.822 1.00 0.00 H new ATOM 1296 N GLU A 94 17.066 12.215 -5.583 1.00 0.00 N ATOM 1297 CA GLU A 94 16.492 12.291 -6.920 1.00 0.00 C ATOM 1298 C GLU A 94 15.039 12.749 -6.871 1.00 0.00 C ATOM 1299 O GLU A 94 14.507 13.267 -7.852 1.00 0.00 O ATOM 1300 CB GLU A 94 16.602 10.937 -7.612 1.00 0.00 C ATOM 1301 CG GLU A 94 17.980 10.320 -7.474 1.00 0.00 C ATOM 1302 CD GLU A 94 18.400 9.543 -8.706 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.636 8.654 -9.136 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.492 9.825 -9.243 1.00 0.00 O ATOM 0 H GLU A 94 16.688 11.466 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 94 17.054 13.029 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.860 10.258 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.365 11.054 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.708 11.108 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.991 9.656 -6.610 1.00 0.00 H new ATOM 1311 N GLY A 95 14.407 12.566 -5.720 1.00 0.00 N ATOM 1312 CA GLY A 95 13.031 12.978 -5.552 1.00 0.00 C ATOM 1313 C GLY A 95 12.938 14.370 -4.975 1.00 0.00 C ATOM 1314 O GLY A 95 11.997 15.110 -5.253 1.00 0.00 O ATOM 0 H GLY A 95 14.827 12.137 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.520 12.947 -6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.517 12.276 -4.896 1.00 0.00 H new ATOM 1318 N ASN A 96 13.933 14.725 -4.172 1.00 0.00 N ATOM 1319 CA ASN A 96 13.986 16.037 -3.549 1.00 0.00 C ATOM 1320 C ASN A 96 14.660 17.039 -4.482 1.00 0.00 C ATOM 1321 O ASN A 96 14.263 18.203 -4.550 1.00 0.00 O ATOM 1322 CB ASN A 96 14.732 15.949 -2.211 1.00 0.00 C ATOM 1323 CG ASN A 96 15.262 17.290 -1.736 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.331 17.367 -1.131 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.516 18.353 -2.007 1.00 0.00 N ATOM 0 H ASN A 96 14.718 14.117 -3.937 1.00 0.00 H new ATOM 0 HA ASN A 96 12.970 16.383 -3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.062 15.541 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.563 15.251 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.822 19.280 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.636 18.243 -2.511 1.00 0.00 H new ATOM 1332 N LYS A 97 15.678 16.576 -5.205 1.00 0.00 N ATOM 1333 CA LYS A 97 16.405 17.428 -6.143 1.00 0.00 C ATOM 1334 C LYS A 97 15.448 18.259 -6.994 1.00 0.00 C ATOM 1335 O LYS A 97 15.784 19.362 -7.423 1.00 0.00 O ATOM 1336 CB LYS A 97 17.321 16.587 -7.021 1.00 0.00 C ATOM 1337 CG LYS A 97 16.579 15.580 -7.866 1.00 0.00 C ATOM 1338 CD LYS A 97 16.166 16.181 -9.191 1.00 0.00 C ATOM 1339 CE LYS A 97 17.374 16.671 -9.970 1.00 0.00 C ATOM 1340 NZ LYS A 97 17.137 16.657 -11.442 1.00 0.00 N ATOM 0 H LYS A 97 16.018 15.615 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 97 17.018 18.121 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.894 17.246 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.038 16.063 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.212 14.709 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.696 15.231 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.628 15.438 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.479 17.010 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.622 17.684 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.234 16.044 -9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.987 16.999 -11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.925 15.687 -11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.333 17.276 -11.670 1.00 0.00 H new ATOM 1354 N ARG A 98 14.249 17.731 -7.217 1.00 0.00 N ATOM 1355 CA ARG A 98 13.239 18.437 -7.996 1.00 0.00 C ATOM 1356 C ARG A 98 12.136 18.968 -7.086 1.00 0.00 C ATOM 1357 O ARG A 98 11.486 19.966 -7.398 1.00 0.00 O ATOM 1358 CB ARG A 98 12.642 17.532 -9.075 1.00 0.00 C ATOM 1359 CG ARG A 98 12.194 16.176 -8.562 1.00 0.00 C ATOM 1360 CD ARG A 98 12.856 15.048 -9.335 1.00 0.00 C ATOM 1361 NE ARG A 98 12.229 13.756 -9.072 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.082 13.362 -9.620 1.00 0.00 C ATOM 1363 NH1 ARG A 98 10.431 14.160 -10.459 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.584 12.168 -9.330 1.00 0.00 N ATOM 0 H ARG A 98 13.954 16.818 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 98 13.726 19.279 -8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.789 18.038 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.381 17.385 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.438 16.086 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.111 16.092 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.806 15.263 -10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.912 14.998 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 98 12.698 13.117 -8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.810 15.079 -10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.552 13.853 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.080 11.551 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.705 11.866 -9.750 1.00 0.00 H new ATOM 1378 N GLY A 99 11.935 18.297 -5.954 1.00 0.00 N ATOM 1379 CA GLY A 99 10.917 18.720 -5.009 1.00 0.00 C ATOM 1380 C GLY A 99 9.835 17.676 -4.790 1.00 0.00 C ATOM 1381 O GLY A 99 8.925 17.888 -3.993 1.00 0.00 O ATOM 0 H GLY A 99 12.460 17.468 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.390 18.950 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.457 19.641 -5.368 1.00 0.00 H new ATOM 1385 N MET A 100 9.931 16.551 -5.495 1.00 0.00 N ATOM 1386 CA MET A 100 8.945 15.488 -5.366 1.00 0.00 C ATOM 1387 C MET A 100 9.444 14.180 -5.975 1.00 0.00 C ATOM 1388 O MET A 100 10.098 14.175 -7.019 1.00 0.00 O ATOM 1389 CB MET A 100 7.648 15.904 -6.046 1.00 0.00 C ATOM 1390 CG MET A 100 7.806 16.155 -7.536 1.00 0.00 C ATOM 1391 SD MET A 100 6.766 15.085 -8.545 1.00 0.00 S ATOM 1392 CE MET A 100 7.752 13.591 -8.581 1.00 0.00 C ATOM 0 H MET A 100 10.680 16.355 -6.159 1.00 0.00 H new ATOM 0 HA MET A 100 8.772 15.321 -4.303 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.900 15.127 -5.893 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.270 16.809 -5.570 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.564 17.196 -7.751 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.849 16.007 -7.815 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.495 13.007 -9.464 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.809 13.854 -8.615 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.553 13.002 -7.686 1.00 0.00 H new ATOM 1402 N ILE A 101 9.126 13.071 -5.313 1.00 0.00 N ATOM 1403 CA ILE A 101 9.531 11.751 -5.777 1.00 0.00 C ATOM 1404 C ILE A 101 8.317 10.905 -6.150 1.00 0.00 C ATOM 1405 O ILE A 101 7.339 10.843 -5.407 1.00 0.00 O ATOM 1406 CB ILE A 101 10.375 11.012 -4.705 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.796 9.625 -4.391 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.490 11.837 -3.431 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.582 8.862 -3.349 1.00 0.00 C ATOM 0 H ILE A 101 8.585 13.063 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 101 10.146 11.895 -6.665 1.00 0.00 H new ATOM 0 HB ILE A 101 11.374 10.876 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.768 9.739 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.761 9.039 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.087 11.294 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.971 12.789 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.495 12.020 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.115 7.892 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.604 8.716 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.595 9.427 -2.417 1.00 0.00 H new ATOM 1421 N GLN A 102 8.394 10.237 -7.297 1.00 0.00 N ATOM 1422 CA GLN A 102 7.307 9.378 -7.750 1.00 0.00 C ATOM 1423 C GLN A 102 7.393 8.018 -7.059 1.00 0.00 C ATOM 1424 O GLN A 102 8.482 7.480 -6.869 1.00 0.00 O ATOM 1425 CB GLN A 102 7.355 9.212 -9.276 1.00 0.00 C ATOM 1426 CG GLN A 102 8.275 8.097 -9.753 1.00 0.00 C ATOM 1427 CD GLN A 102 7.588 6.744 -9.774 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.557 6.567 -10.423 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.158 5.780 -9.058 1.00 0.00 N ATOM 0 H GLN A 102 9.195 10.274 -7.927 1.00 0.00 H new ATOM 0 HA GLN A 102 6.357 9.844 -7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.347 9.017 -9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.680 10.152 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.637 8.332 -10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.148 8.047 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.013 5.971 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.741 4.850 -9.032 1.00 0.00 H new ATOM 1438 N LEU A 103 6.245 7.467 -6.679 1.00 0.00 N ATOM 1439 CA LEU A 103 6.216 6.176 -6.002 1.00 0.00 C ATOM 1440 C LEU A 103 5.139 5.265 -6.574 1.00 0.00 C ATOM 1441 O LEU A 103 3.945 5.506 -6.386 1.00 0.00 O ATOM 1442 CB LEU A 103 5.970 6.358 -4.505 1.00 0.00 C ATOM 1443 CG LEU A 103 7.065 7.108 -3.744 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.568 8.478 -3.320 1.00 0.00 C ATOM 1445 CD2 LEU A 103 7.521 6.306 -2.536 1.00 0.00 C ATOM 0 H LEU A 103 5.329 7.891 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 103 7.189 5.711 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.029 6.891 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.846 5.374 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 103 7.920 7.241 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.358 9.000 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.291 9.054 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.698 8.365 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.300 6.855 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.676 6.142 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.915 5.345 -2.865 1.00 0.00 H new ATOM 1457 N ILE A 104 5.562 4.201 -7.242 1.00 0.00 N ATOM 1458 CA ILE A 104 4.623 3.241 -7.800 1.00 0.00 C ATOM 1459 C ILE A 104 4.342 2.154 -6.773 1.00 0.00 C ATOM 1460 O ILE A 104 5.225 1.373 -6.430 1.00 0.00 O ATOM 1461 CB ILE A 104 5.167 2.598 -9.094 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.430 3.673 -10.151 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.192 1.555 -9.626 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.338 3.210 -11.269 1.00 0.00 C ATOM 0 H ILE A 104 6.544 3.982 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 104 3.705 3.772 -8.049 1.00 0.00 H new ATOM 0 HB ILE A 104 6.108 2.100 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.479 3.994 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.875 4.544 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.593 1.113 -10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.049 0.775 -8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.235 2.029 -9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.481 4.022 -11.982 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.303 2.916 -10.856 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.885 2.358 -11.776 1.00 0.00 H new ATOM 1476 N VAL A 105 3.114 2.119 -6.272 1.00 0.00 N ATOM 1477 CA VAL A 105 2.735 1.133 -5.271 1.00 0.00 C ATOM 1478 C VAL A 105 1.620 0.227 -5.778 1.00 0.00 C ATOM 1479 O VAL A 105 1.160 0.365 -6.911 1.00 0.00 O ATOM 1480 CB VAL A 105 2.285 1.813 -3.959 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.351 2.777 -3.464 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.956 2.534 -4.145 1.00 0.00 C ATOM 0 H VAL A 105 2.367 2.759 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 105 3.619 0.527 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 105 2.145 1.036 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.016 3.246 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.277 2.232 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.526 3.545 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.662 3.004 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.061 3.298 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.192 1.817 -4.446 1.00 0.00 H new ATOM 1492 N ALA A 106 1.191 -0.698 -4.930 1.00 0.00 N ATOM 1493 CA ALA A 106 0.129 -1.628 -5.287 1.00 0.00 C ATOM 1494 C ALA A 106 -0.709 -1.984 -4.067 1.00 0.00 C ATOM 1495 O ALA A 106 -0.174 -2.260 -2.993 1.00 0.00 O ATOM 1496 CB ALA A 106 0.713 -2.879 -5.921 1.00 0.00 C ATOM 0 H ALA A 106 1.563 -0.824 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.522 -1.144 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.093 -3.565 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.264 -2.607 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.387 -3.364 -5.215 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.026 -1.973 -4.239 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.938 -2.293 -3.147 1.00 0.00 C ATOM 1504 C ARG A 107 -4.240 -2.878 -3.678 1.00 0.00 C ATOM 1505 O ARG A 107 -4.409 -3.049 -4.885 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.230 -1.049 -2.298 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.081 0.264 -3.050 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.220 0.476 -4.034 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.249 1.363 -3.497 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.279 1.819 -4.206 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.421 1.477 -5.482 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.169 2.622 -3.639 1.00 0.00 N ATOM 0 H ARG A 107 -2.485 -1.747 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.453 -3.040 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.245 -1.119 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.558 -1.042 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.054 1.090 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.131 0.272 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.826 0.896 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.666 -0.486 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.174 1.650 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.738 0.861 -5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.213 1.830 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.064 2.890 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.959 2.972 -4.181 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.156 -3.186 -2.768 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.444 -3.757 -3.140 1.00 0.00 C ATOM 1528 C ARG A 108 -7.565 -2.738 -2.966 1.00 0.00 C ATOM 1529 O ARG A 108 -7.693 -2.112 -1.914 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.736 -5.000 -2.299 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.017 -6.247 -2.787 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.830 -7.504 -2.518 1.00 0.00 C ATOM 1533 NE ARG A 108 -6.241 -8.322 -1.462 1.00 0.00 N ATOM 1534 CZ ARG A 108 -6.527 -9.609 -1.274 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -7.395 -10.226 -2.067 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -5.945 -10.280 -0.291 1.00 0.00 N ATOM 0 H ARG A 108 -5.030 -3.049 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.396 -4.040 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.448 -4.805 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.810 -5.186 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.823 -6.161 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.049 -6.326 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.846 -7.225 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.903 -8.091 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.571 -7.882 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.847 -9.714 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.610 -11.212 -1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.278 -9.811 0.322 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.164 -11.266 -0.147 1.00 0.00 H new ATOM 1550 N ILE A 109 -8.376 -2.577 -4.006 1.00 0.00 N ATOM 1551 CA ILE A 109 -9.490 -1.636 -3.971 1.00 0.00 C ATOM 1552 C ILE A 109 -10.506 -2.034 -2.905 1.00 0.00 C ATOM 1553 O ILE A 109 -11.135 -3.088 -2.996 1.00 0.00 O ATOM 1554 CB ILE A 109 -10.196 -1.551 -5.337 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -9.187 -1.229 -6.440 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -11.300 -0.504 -5.302 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -9.602 -1.732 -7.806 1.00 0.00 C ATOM 0 H ILE A 109 -8.283 -3.087 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.075 -0.658 -3.727 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.647 -2.519 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.045 -0.149 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.223 -1.666 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.788 -0.457 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.033 -0.773 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.871 0.469 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.839 -1.468 -8.538 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.716 -2.816 -7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.550 -1.275 -8.089 1.00 0.00 H new ATOM 1569 N SER A 110 -10.662 -1.181 -1.897 1.00 0.00 N ATOM 1570 CA SER A 110 -11.604 -1.443 -0.815 1.00 0.00 C ATOM 1571 C SER A 110 -12.574 -0.277 -0.646 1.00 0.00 C ATOM 1572 O SER A 110 -12.540 0.434 0.359 1.00 0.00 O ATOM 1573 CB SER A 110 -10.851 -1.694 0.494 1.00 0.00 C ATOM 1574 OG SER A 110 -11.749 -2.008 1.546 1.00 0.00 O ATOM 0 H SER A 110 -10.149 -0.304 -1.807 1.00 0.00 H new ATOM 0 HA SER A 110 -12.178 -2.334 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.143 -2.512 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.270 -0.810 0.759 1.00 0.00 H new ATOM 0 HG SER A 110 -11.244 -2.166 2.371 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.857 -11.391 5.993 1.00 0.00 N ATOM 1582 CA ASP B 3 3.890 -12.390 5.743 1.00 0.00 C ATOM 1583 C ASP B 3 5.096 -12.161 6.649 1.00 0.00 C ATOM 1584 O ASP B 3 6.229 -12.467 6.281 1.00 0.00 O ATOM 1585 CB ASP B 3 4.322 -12.350 4.276 1.00 0.00 C ATOM 1586 CG ASP B 3 4.346 -13.728 3.642 1.00 0.00 C ATOM 1587 OD1 ASP B 3 3.259 -14.316 3.462 1.00 0.00 O ATOM 1588 OD2 ASP B 3 5.452 -14.216 3.327 1.00 0.00 O ATOM 0 HA ASP B 3 3.474 -13.373 5.964 1.00 0.00 H new ATOM 0 HB2 ASP B 3 3.641 -11.708 3.717 1.00 0.00 H new ATOM 0 HB3 ASP B 3 5.313 -11.903 4.204 1.00 0.00 H new ATOM 1593 N GLU B 4 4.842 -11.621 7.836 1.00 0.00 N ATOM 1594 CA GLU B 4 5.906 -11.350 8.796 1.00 0.00 C ATOM 1595 C GLU B 4 6.384 -12.639 9.459 1.00 0.00 C ATOM 1596 O GLU B 4 5.593 -13.550 9.706 1.00 0.00 O ATOM 1597 CB GLU B 4 5.421 -10.365 9.862 1.00 0.00 C ATOM 1598 CG GLU B 4 5.405 -8.919 9.392 1.00 0.00 C ATOM 1599 CD GLU B 4 4.001 -8.405 9.136 1.00 0.00 C ATOM 1600 OE1 GLU B 4 3.192 -8.393 10.086 1.00 0.00 O ATOM 1601 OE2 GLU B 4 3.712 -8.012 7.986 1.00 0.00 O ATOM 0 H GLU B 4 3.909 -11.362 8.156 1.00 0.00 H new ATOM 0 HA GLU B 4 6.744 -10.908 8.256 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.416 -10.648 10.176 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.063 -10.446 10.739 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.887 -8.292 10.142 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.992 -8.831 8.478 1.00 0.00 H new ATOM 1608 N ASP B 5 7.680 -12.707 9.742 1.00 0.00 N ATOM 1609 CA ASP B 5 8.263 -13.887 10.375 1.00 0.00 C ATOM 1610 C ASP B 5 8.848 -13.540 11.740 1.00 0.00 C ATOM 1611 O ASP B 5 8.281 -13.886 12.777 1.00 0.00 O ATOM 1612 CB ASP B 5 9.346 -14.505 9.482 1.00 0.00 C ATOM 1613 CG ASP B 5 10.057 -13.480 8.618 1.00 0.00 C ATOM 1614 OD1 ASP B 5 10.167 -12.312 9.050 1.00 0.00 O ATOM 1615 OD2 ASP B 5 10.506 -13.845 7.511 1.00 0.00 O ATOM 0 H ASP B 5 8.347 -11.961 9.544 1.00 0.00 H new ATOM 0 HA ASP B 5 7.466 -14.617 10.514 1.00 0.00 H new ATOM 0 HB2 ASP B 5 10.078 -15.015 10.108 1.00 0.00 H new ATOM 0 HB3 ASP B 5 8.893 -15.261 8.841 1.00 0.00 H new ATOM 1620 N GLN B 6 9.986 -12.856 11.734 1.00 0.00 N ATOM 1621 CA GLN B 6 10.650 -12.462 12.970 1.00 0.00 C ATOM 1622 C GLN B 6 10.743 -10.943 13.075 1.00 0.00 C ATOM 1623 O GLN B 6 10.121 -10.332 13.944 1.00 0.00 O ATOM 1624 CB GLN B 6 12.049 -13.075 13.039 1.00 0.00 C ATOM 1625 CG GLN B 6 12.088 -14.545 12.656 1.00 0.00 C ATOM 1626 CD GLN B 6 11.230 -15.407 13.561 1.00 0.00 C ATOM 1627 OE1 GLN B 6 11.456 -15.476 14.770 1.00 0.00 O ATOM 1628 NE2 GLN B 6 10.237 -16.070 12.981 1.00 0.00 N ATOM 0 H GLN B 6 10.469 -12.562 10.885 1.00 0.00 H new ATOM 0 HA GLN B 6 10.057 -12.832 13.807 1.00 0.00 H new ATOM 0 HB2 GLN B 6 12.714 -12.518 12.378 1.00 0.00 H new ATOM 0 HB3 GLN B 6 12.437 -12.961 14.051 1.00 0.00 H new ATOM 0 HG2 GLN B 6 11.749 -14.657 11.626 1.00 0.00 H new ATOM 0 HG3 GLN B 6 13.118 -14.899 12.693 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.085 -15.984 11.976 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.626 -16.665 13.540 1.00 0.00 H new ATOM 1637 N HIS B 7 11.523 -10.339 12.186 1.00 0.00 N ATOM 1638 CA HIS B 7 11.697 -8.892 12.179 1.00 0.00 C ATOM 1639 C HIS B 7 11.062 -8.274 10.937 1.00 0.00 C ATOM 1640 O HIS B 7 11.460 -8.570 9.810 1.00 0.00 O ATOM 1641 CB HIS B 7 13.184 -8.534 12.234 1.00 0.00 C ATOM 1642 CG HIS B 7 13.931 -9.252 13.314 1.00 0.00 C ATOM 1643 ND1 HIS B 7 13.669 -9.076 14.658 1.00 0.00 N ATOM 1644 CD2 HIS B 7 14.939 -10.154 13.246 1.00 0.00 C ATOM 1645 CE1 HIS B 7 14.482 -9.837 15.366 1.00 0.00 C ATOM 1646 NE2 HIS B 7 15.263 -10.501 14.535 1.00 0.00 N ATOM 0 H HIS B 7 12.045 -10.830 11.460 1.00 0.00 H new ATOM 0 HA HIS B 7 11.200 -8.488 13.061 1.00 0.00 H new ATOM 0 HB2 HIS B 7 13.641 -8.765 11.272 1.00 0.00 H new ATOM 0 HB3 HIS B 7 13.286 -7.459 12.386 1.00 0.00 H new ATOM 0 HD2 HIS B 7 15.402 -10.530 12.346 1.00 0.00 H new ATOM 0 HE1 HIS B 7 14.504 -9.905 16.444 1.00 0.00 H new ATOM 0 HE2 HIS B 7 15.989 -11.164 14.806 1.00 0.00 H new ATOM 1655 N SER B 8 10.071 -7.415 11.150 1.00 0.00 N ATOM 1656 CA SER B 8 9.381 -6.756 10.047 1.00 0.00 C ATOM 1657 C SER B 8 10.340 -5.873 9.257 1.00 0.00 C ATOM 1658 O SER B 8 10.212 -5.740 8.041 1.00 0.00 O ATOM 1659 CB SER B 8 8.215 -5.920 10.574 1.00 0.00 C ATOM 1660 OG SER B 8 8.681 -4.784 11.277 1.00 0.00 O ATOM 0 H SER B 8 9.728 -7.159 12.076 1.00 0.00 H new ATOM 0 HA SER B 8 8.993 -7.527 9.381 1.00 0.00 H new ATOM 0 HB2 SER B 8 7.585 -5.604 9.743 1.00 0.00 H new ATOM 0 HB3 SER B 8 7.594 -6.529 11.231 1.00 0.00 H new ATOM 0 HG SER B 8 8.123 -4.638 12.069 1.00 0.00 H new ATOM 1666 N GLN B 9 11.291 -5.257 9.963 1.00 0.00 N ATOM 1667 CA GLN B 9 12.274 -4.371 9.352 1.00 0.00 C ATOM 1668 C GLN B 9 11.672 -2.990 9.166 1.00 0.00 C ATOM 1669 O GLN B 9 11.463 -2.525 8.046 1.00 0.00 O ATOM 1670 CB GLN B 9 12.795 -4.927 8.011 1.00 0.00 C ATOM 1671 CG GLN B 9 14.288 -5.255 8.000 1.00 0.00 C ATOM 1672 CD GLN B 9 15.110 -4.357 8.907 1.00 0.00 C ATOM 1673 OE1 GLN B 9 16.054 -4.807 9.554 1.00 0.00 O ATOM 1674 NE2 GLN B 9 14.752 -3.080 8.957 1.00 0.00 N ATOM 0 H GLN B 9 11.398 -5.361 10.972 1.00 0.00 H new ATOM 0 HA GLN B 9 13.131 -4.303 10.022 1.00 0.00 H new ATOM 0 HB2 GLN B 9 12.236 -5.829 7.764 1.00 0.00 H new ATOM 0 HB3 GLN B 9 12.590 -4.199 7.226 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.427 -6.292 8.306 1.00 0.00 H new ATOM 0 HG3 GLN B 9 14.663 -5.170 6.980 1.00 0.00 H new ATOM 0 HE21 GLN B 9 13.962 -2.750 8.403 1.00 0.00 H new ATOM 0 HE22 GLN B 9 15.267 -2.429 9.549 1.00 0.00 H new ATOM 1683 N ILE B 10 11.390 -2.345 10.289 1.00 0.00 N ATOM 1684 CA ILE B 10 10.801 -1.021 10.287 1.00 0.00 C ATOM 1685 C ILE B 10 11.847 0.044 9.977 1.00 0.00 C ATOM 1686 O ILE B 10 12.996 -0.055 10.409 1.00 0.00 O ATOM 1687 CB ILE B 10 10.147 -0.711 11.644 1.00 0.00 C ATOM 1688 CG1 ILE B 10 9.181 -1.831 12.041 1.00 0.00 C ATOM 1689 CG2 ILE B 10 9.425 0.620 11.590 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.901 -1.844 11.228 1.00 0.00 C ATOM 0 H ILE B 10 11.563 -2.725 11.220 1.00 0.00 H new ATOM 0 HA ILE B 10 10.038 -1.005 9.509 1.00 0.00 H new ATOM 0 HB ILE B 10 10.930 -0.648 12.400 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.684 -2.791 11.927 1.00 0.00 H new ATOM 0 HG13 ILE B 10 8.930 -1.726 13.097 1.00 0.00 H new ATOM 0 HG21 ILE B 10 8.967 0.825 12.558 1.00 0.00 H new ATOM 0 HG22 ILE B 10 10.136 1.410 11.350 1.00 0.00 H new ATOM 0 HG23 ILE B 10 8.651 0.583 10.823 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.265 -2.663 11.564 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.376 -0.898 11.362 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.141 -1.980 10.173 1.00 0.00 H new ATOM 1702 N THR B 11 11.444 1.057 9.216 1.00 0.00 N ATOM 1703 CA THR B 11 12.346 2.136 8.838 1.00 0.00 C ATOM 1704 C THR B 11 11.556 3.355 8.362 1.00 0.00 C ATOM 1705 O THR B 11 10.765 3.267 7.423 1.00 0.00 O ATOM 1706 CB THR B 11 13.305 1.645 7.746 1.00 0.00 C ATOM 1707 OG1 THR B 11 14.367 0.901 8.313 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.919 2.752 6.914 1.00 0.00 C ATOM 0 H THR B 11 10.497 1.152 8.849 1.00 0.00 H new ATOM 0 HA THR B 11 12.929 2.437 9.709 1.00 0.00 H new ATOM 0 HB THR B 11 12.687 1.033 7.089 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.114 0.601 9.211 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.583 2.319 6.166 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.129 3.314 6.416 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.487 3.421 7.561 1.00 0.00 H new ATOM 1716 N LYS B 12 11.774 4.489 9.021 1.00 0.00 N ATOM 1717 CA LYS B 12 11.081 5.724 8.671 1.00 0.00 C ATOM 1718 C LYS B 12 11.734 6.400 7.470 1.00 0.00 C ATOM 1719 O LYS B 12 12.953 6.356 7.307 1.00 0.00 O ATOM 1720 CB LYS B 12 11.065 6.681 9.863 1.00 0.00 C ATOM 1721 CG LYS B 12 9.922 7.684 9.824 1.00 0.00 C ATOM 1722 CD LYS B 12 10.414 9.110 10.028 1.00 0.00 C ATOM 1723 CE LYS B 12 9.941 9.679 11.356 1.00 0.00 C ATOM 1724 NZ LYS B 12 10.253 11.130 11.481 1.00 0.00 N ATOM 0 H LYS B 12 12.426 4.578 9.801 1.00 0.00 H new ATOM 0 HA LYS B 12 10.056 5.468 8.404 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.997 6.101 10.783 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.011 7.222 9.897 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.407 7.611 8.866 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.195 7.436 10.597 1.00 0.00 H new ATOM 0 HD2 LYS B 12 11.503 9.129 9.990 1.00 0.00 H new ATOM 0 HD3 LYS B 12 10.056 9.739 9.213 1.00 0.00 H new ATOM 0 HE2 LYS B 12 8.866 9.529 11.453 1.00 0.00 H new ATOM 0 HE3 LYS B 12 10.414 9.134 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 9.915 11.480 12.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 11.281 11.271 11.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 9.781 11.654 10.716 1.00 0.00 H new ATOM 1738 N VAL B 13 10.913 7.031 6.636 1.00 0.00 N ATOM 1739 CA VAL B 13 11.407 7.722 5.451 1.00 0.00 C ATOM 1740 C VAL B 13 10.439 8.817 5.010 1.00 0.00 C ATOM 1741 O VAL B 13 9.675 9.309 5.867 1.00 0.00 O ATOM 1742 CB VAL B 13 11.634 6.745 4.281 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.624 5.661 4.677 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.317 6.131 3.827 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.453 9.170 3.814 1.00 0.00 O ATOM 0 H VAL B 13 9.902 7.078 6.760 1.00 0.00 H new ATOM 0 HA VAL B 13 12.361 8.173 5.723 1.00 0.00 H new ATOM 0 HB VAL B 13 12.053 7.304 3.444 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.772 4.980 3.839 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.576 6.118 4.946 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.234 5.106 5.531 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.501 5.445 3.000 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.864 5.587 4.656 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.641 6.921 3.499 1.00 0.00 H new TER 1755 VAL B 13